#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:05:32 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180025 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/19/7031927.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7031927
loop_
_publ_author_name
'Albrecht, M.'
'Isaak, E.'
'Shigemitsu, H.'
'Moha, V.'
'Raabe, G.'
'Fröhlich, R'
_publ_section_title
;
 Terpenols as substituents for the diastereoselective formation of
 enantiomerically pure triple lithium-bridged helicate type-coordination
 compounds.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14636
_journal_page_last               14643
_journal_paper_doi               10.1039/c4dt01553c
_journal_volume                  43
_journal_year                    2014
_chemical_absolute_configuration ad
_chemical_formula_sum            'C111 H141 Li4 N3 O27 Ti2'
_chemical_formula_weight         2072.83
_chemical_name_systematic
;
?
;
_space_group_IT_number           146
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            12
_cell_length_a                   37.0007(3)
_cell_length_b                   37.0007(3)
_cell_length_c                   32.4997(3)
_cell_measurement_reflns_used    26263
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.88
_cell_measurement_theta_min      0.41
_cell_volume                     38532.7(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Nonius KappaCCD APEXII'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'Montel mirror'
_diffrn_radiation_source         'rotating anode Nonius FR591'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.074
_diffrn_reflns_av_sigmaI/netI    0.0436
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            92423
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         4.19
_exptl_absorpt_coefficient_mu    0.188
_exptl_absorpt_correction_T_max  0.9815
_exptl_absorpt_correction_T_min  0.9372
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Denzo (Otwinowski, Borek, Majewski & Minor, 2003)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.072
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             13200
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.10
_platon_squeeze_details
;
;
_refine_diff_density_max         0.421
_refine_diff_density_min         -0.264
_refine_diff_density_rms         0.053
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.05(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.117
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1789
_refine_ls_number_reflns         27078
_refine_ls_number_restraints     145
_refine_ls_restrained_S_all      1.123
_refine_ls_R_factor_all          0.1127
_refine_ls_R_factor_gt           0.0832
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0674P)²+142.8331P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1857
_refine_ls_wR_factor_ref         0.2019
_reflns_number_gt                20970
_reflns_number_total             27078
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt01553c1.cif
_cod_data_source_block           fro5718
_cod_depositor_comments
'Adding full bibliography for 7031927--7031928.cif.'
_cod_original_sg_symbol_H-M      R3
_cod_database_code               7031927
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Li1 Li 0.6684(3) 0.8003(3) 0.8875(3) 0.063(3) Uani 1 1 d .
Li2 Li 0.7057(3) 0.8264(3) 0.7886(3) 0.054(2) Uani 1 1 d .
Li3 Li 0.6626(3) 0.8755(3) 0.8374(3) 0.057(2) Uani 1 1 d .
Li4 Li 0.8324(6) 0.9186(8) 0.9748(5) 0.140(7) Uani 1 1 d .
Ti1 Ti 0.75903(3) 0.89310(3) 0.86833(3) 0.0520(2) Uani 1 1 d .
Ti2 Ti 0.59914(3) 0.77339(3) 0.80671(3) 0.0567(3) Uani 1 1 d .
O1A O 0.72814(11) 0.83060(11) 0.87419(12) 0.0514(9) Uani 1 1 d .
O2A O 0.80429(11) 0.88269(12) 0.86906(12) 0.0582(10) Uani 1 1 d .
C1A C 0.75269(17) 0.81409(17) 0.87906(17) 0.0524(13) Uani 1 1 d .
C2A C 0.79627(19) 0.84370(19) 0.87690(18) 0.0572(14) Uani 1 1 d .
C3A C 0.82491(18) 0.8314(2) 0.8826(2) 0.0684(17) Uani 1 1 d .
H3A H 0.8535 0.8513 0.8820 0.082 Uiso 1 1 calc R
C4A C 0.8121(2) 0.7898(2) 0.8893(2) 0.0767(19) Uani 1 1 d .
H4A H 0.8320 0.7813 0.8924 0.092 Uiso 1 1 calc R
C5A C 0.7719(2) 0.7620(2) 0.8912(2) 0.0710(18) Uani 1 1 d .
H5A H 0.7640 0.7339 0.8954 0.085 Uiso 1 1 calc R
C6A C 0.74023(18) 0.77220(19) 0.88716(18) 0.0578(15) Uani 1 1 d .
C7A C 0.69541(19) 0.74073(18) 0.89107(18) 0.0543(14) Uani 1 1 d .
O8A O 0.66713(13) 0.74809(12) 0.88723(14) 0.0645(11) Uani 1 1 d .
O9A O 0.68863(13) 0.70264(13) 0.89937(15) 0.0729(12) Uani 1 1 d .
C10A C 0.6458(2) 0.6700(2) 0.8992(3) 0.083(2) Uani 1 1 d .
H10A H 0.6338 0.6690 0.8717 0.100 Uiso 1 1 calc R
C11A C 0.6439(3) 0.6285(2) 0.9070(4) 0.116(3) Uani 1 1 d .
C12A C 0.6646(4) 0.6320(3) 0.9496(4) 0.139(4) Uani 1 1 d .
H12A H 0.6918 0.6576 0.9515 0.166 Uiso 1 1 calc R
H12B H 0.6683 0.6079 0.9546 0.166 Uiso 1 1 calc R
C13A C 0.6321(5) 0.6327(4) 0.9810(4) 0.160(5) Uani 1 1 d .
H13A H 0.6209 0.6087 0.9997 0.192 Uiso 1 1 calc R
H13B H 0.6449 0.6585 0.9973 0.192 Uiso 1 1 calc R
C14A C 0.5982(4) 0.6305(4) 0.9528(5) 0.149(5) Uani 1 1 d .
H14A H 0.5712 0.6219 0.9666 0.178 Uiso 1 1 calc R
C15A C 0.6180(3) 0.6737(3) 0.9319(3) 0.112(3) Uani 1 1 d .
H15A H 0.5968 0.6786 0.9194 0.134 Uiso 1 1 calc R
H15B H 0.6345 0.6961 0.9515 0.134 Uiso 1 1 calc R
C16A C 0.5963(4) 0.6018(3) 0.9207(5) 0.141(4) Uani 1 1 d .
C17A C 0.5662(4) 0.5988(4) 0.8861(6) 0.185(6) Uani 1 1 d .
H17A H 0.5376 0.5827 0.8957 0.278 Uiso 1 1 calc R
H17B H 0.5699 0.5851 0.8623 0.278 Uiso 1 1 calc R
H17C H 0.5722 0.6266 0.8785 0.278 Uiso 1 1 calc R
C18A C 0.5841(4) 0.5562(3) 0.9362(6) 0.216(8) Uani 1 1 d .
H18A H 0.5956 0.5580 0.9634 0.324 Uiso 1 1 calc R
H18B H 0.5954 0.5440 0.9173 0.324 Uiso 1 1 calc R
H18C H 0.5540 0.5389 0.9372 0.324 Uiso 1 1 calc R
C19A C 0.6580(4) 0.6132(3) 0.8713(4) 0.159(5) Uani 1 1 d .
H19A H 0.6882 0.6289 0.8696 0.239 Uiso 1 1 calc R
H19B H 0.6461 0.6168 0.8461 0.239 Uiso 1 1 calc R
H19C H 0.6488 0.5838 0.8751 0.239 Uiso 1 1 calc R
O1B O 0.74066(11) 0.88332(11) 0.80889(11) 0.0511(9) Uani 1 1 d .
O2B O 0.79094(12) 0.94830(11) 0.84621(12) 0.0562(10) Uani 1 1 d .
C1B C 0.76067(15) 0.91685(15) 0.78473(17) 0.0451(12) Uani 1 1 d .
C2B C 0.78931(17) 0.95349(17) 0.80579(17) 0.0510(13) Uani 1 1 d .
C3B C 0.81230(19) 0.99043(18) 0.7850(2) 0.0639(16) Uani 1 1 d .
H3B H 0.8315 1.0148 0.7990 0.077 Uiso 1 1 calc R
C4B C 0.8066(2) 0.99117(19) 0.7429(2) 0.0725(18) Uani 1 1 d .
H4B H 0.8220 1.0165 0.7286 0.087 Uiso 1 1 calc R
C5B C 0.77934(19) 0.95624(17) 0.72146(18) 0.0599(15) Uani 1 1 d .
H5B H 0.7761 0.9577 0.6929 0.072 Uiso 1 1 calc R
C6B C 0.75605(17) 0.91795(17) 0.74254(18) 0.0515(13) Uani 1 1 d .
C7B C 0.72761(17) 0.88001(18) 0.71909(18) 0.0511(13) Uani 1 1 d .
O8B O 0.70491(12) 0.84630(12) 0.73393(12) 0.0581(10) Uani 1 1 d .
O9B O 0.72894(13) 0.88658(12) 0.67887(12) 0.0630(11) Uani 1 1 d .
C10B C 0.6986(2) 0.8515(2) 0.6546(2) 0.0708(18) Uani 1 1 d .
H10B H 0.6702 0.8419 0.6655 0.085 Uiso 1 1 calc R
C11B C 0.7008(2) 0.8654(3) 0.6097(2) 0.083(2) Uani 1 1 d .
C12B C 0.7466(3) 0.8821(4) 0.5955(3) 0.130(4) Uani 1 1 d .
H12C H 0.7517 0.8962 0.5688 0.156 Uiso 1 1 calc R
H12D H 0.7663 0.9018 0.6156 0.156 Uiso 1 1 calc R
C13B C 0.7511(5) 0.8436(6) 0.5922(4) 0.167(6) Uani 1 1 d .
H13C H 0.7571 0.8391 0.5639 0.200 Uiso 1 1 calc R
H13D H 0.7732 0.8457 0.6104 0.200 Uiso 1 1 calc R
C14B C 0.7095(5) 0.8100(5) 0.6057(4) 0.154(5) Uani 1 1 d .
H14B H 0.7032 0.7818 0.5970 0.184 Uiso 1 1 calc R
C15B C 0.7062(3) 0.8141(3) 0.6525(3) 0.111(3) Uani 1 1 d .
H15C H 0.7321 0.8202 0.6666 0.133 Uiso 1 1 calc R
H15D H 0.6828 0.7889 0.6643 0.133 Uiso 1 1 calc R
C16B C 0.6790(3) 0.8228(3) 0.5884(2) 0.101(3) Uani 1 1 d .
C17B C 0.6338(3) 0.7950(3) 0.6024(3) 0.130(4) Uani 1 1 d .
H17D H 0.6332 0.7891 0.6315 0.195 Uiso 1 1 calc R
H17E H 0.6213 0.7690 0.5870 0.195 Uiso 1 1 calc R
H17F H 0.6181 0.8092 0.5974 0.195 Uiso 1 1 calc R
C18B C 0.6790(4) 0.8251(4) 0.5401(3) 0.159(5) Uani 1 1 d .
H18D H 0.6669 0.7971 0.5288 0.238 Uiso 1 1 calc R
H18E H 0.7074 0.8418 0.5303 0.238 Uiso 1 1 calc R
H18F H 0.6627 0.8377 0.5314 0.238 Uiso 1 1 calc R
C19B C 0.6847(4) 0.8941(3) 0.6035(3) 0.121(3) Uani 1 1 d .
H19D H 0.6876 0.9022 0.5747 0.181 Uiso 1 1 calc R
H19E H 0.7003 0.9187 0.6204 0.181 Uiso 1 1 calc R
H19F H 0.6554 0.8803 0.6111 0.181 Uiso 1 1 calc R
O1C O 0.70343(11) 0.88949(12) 0.88020(12) 0.0541(9) Uani 1 1 d .
O2C O 0.76749(13) 0.91215(13) 0.92373(12) 0.0619(10) Uani 1 1 d .
C1C C 0.70341(18) 0.90793(16) 0.91572(17) 0.0532(14) Uani 1 1 d .
C2C C 0.73954(18) 0.92116(17) 0.94001(18) 0.0555(14) Uani 1 1 d .
C3C C 0.7438(2) 0.9410(2) 0.97705(19) 0.0637(16) Uani 1 1 d .
H3C H 0.7678 0.9493 0.9931 0.076 Uiso 1 1 calc R
C4C C 0.7135(2) 0.9487(2) 0.9905(2) 0.0736(19) Uani 1 1 d .
H4C H 0.7170 0.9626 1.0156 0.088 Uiso 1 1 calc R
C5C C 0.6776(2) 0.9363(2) 0.9677(2) 0.0683(17) Uani 1 1 d .
H5C H 0.6569 0.9417 0.9777 0.082 Uiso 1 1 calc R
C6C C 0.67183(19) 0.91566(18) 0.92943(18) 0.0560(14) Uani 1 1 d .
C7C C 0.6331(2) 0.90082(19) 0.9057(2) 0.0590(15) Uani 1 1 d .
O8C O 0.62425(13) 0.88117(13) 0.87384(13) 0.0629(10) Uani 1 1 d .
O9C O 0.60650(14) 0.91033(14) 0.92388(14) 0.0711(12) Uani 1 1 d .
C10C C 0.5652(2) 0.8918(2) 0.9061(2) 0.0711(18) Uani 1 1 d .
H10C H 0.5525 0.8610 0.9055 0.085 Uiso 1 1 calc R
C11C C 0.5375(3) 0.9035(3) 0.9319(3) 0.093(2) Uani 1 1 d .
C12C C 0.5624(3) 0.9527(3) 0.9333(3) 0.120(3) Uani 1 1 d .
H12E H 0.5920 0.9634 0.9393 0.144 Uiso 1 1 calc R
H12F H 0.5508 0.9633 0.9540 0.144 Uiso 1 1 calc R
C13C C 0.5563(4) 0.9653(4) 0.8883(4) 0.141(4) Uani 1 1 d .
H13E H 0.5397 0.9792 0.8887 0.169 Uiso 1 1 calc R
H13F H 0.5832 0.9836 0.8751 0.169 Uiso 1 1 calc R
C14C C 0.5330(4) 0.9230(3) 0.8666(4) 0.118(3) Uani 1 1 d .
H14C H 0.5191 0.9231 0.8405 0.142 Uiso 1 1 calc R
C15C C 0.5638(3) 0.9078(3) 0.8625(3) 0.090(2) Uani 1 1 d .
H15E H 0.5913 0.9306 0.8543 0.108 Uiso 1 1 calc R
H15F H 0.5542 0.8853 0.8422 0.108 Uiso 1 1 calc R
C16C C 0.5023(3) 0.8938(3) 0.9012(3) 0.111(3) Uani 1 1 d .
C17C C 0.4772(3) 0.8485(3) 0.8881(4) 0.123(3) Uani 1 1 d .
H17G H 0.4957 0.8397 0.8764 0.184 Uiso 1 1 calc R
H17H H 0.4567 0.8454 0.8677 0.184 Uiso 1 1 calc R
H17I H 0.4630 0.8313 0.9119 0.184 Uiso 1 1 calc R
C18C C 0.4711(3) 0.9076(4) 0.9175(5) 0.165(5) Uani 1 1 d .
H18G H 0.4626 0.8973 0.9454 0.248 Uiso 1 1 calc R
H18H H 0.4467 0.8961 0.8999 0.248 Uiso 1 1 calc R
H18I H 0.4846 0.9378 0.9175 0.248 Uiso 1 1 calc R
C19C C 0.5272(3) 0.8836(4) 0.9733(3) 0.124(3) Uani 1 1 d .
H19G H 0.5090 0.8914 0.9876 0.186 Uiso 1 1 calc R
H19H H 0.5526 0.8930 0.9890 0.186 Uiso 1 1 calc R
H19I H 0.5131 0.8535 0.9703 0.186 Uiso 1 1 calc R
O1D O 0.61620(11) 0.79079(12) 0.86536(12) 0.0535(9) Uani 1 1 d .
O2D O 0.54808(12) 0.76583(14) 0.82873(14) 0.0675(11) Uani 1 1 d .
C1D C 0.58470(17) 0.78541(17) 0.89023(19) 0.0553(14) Uani 1 1 d .
C2D C 0.54577(18) 0.7716(2) 0.8693(2) 0.0607(15) Uani 1 1 d .
C3D C 0.5110(2) 0.7640(2) 0.8895(2) 0.0729(18) Uani 1 1 d .
H3D H 0.4855 0.7536 0.8755 0.087 Uiso 1 1 calc R
C4D C 0.5134(2) 0.7717(2) 0.9312(3) 0.082(2) Uani 1 1 d .
H4D H 0.4896 0.7680 0.9452 0.099 Uiso 1 1 calc R
C5D C 0.5497(2) 0.7848(2) 0.9529(2) 0.0716(18) Uani 1 1 d .
H5D H 0.5502 0.7888 0.9815 0.086 Uiso 1 1 calc R
C6D C 0.58617(19) 0.7921(2) 0.93229(19) 0.0608(15) Uani 1 1 d .
C7D C 0.6256(2) 0.80664(19) 0.95531(18) 0.0582(15) Uani 1 1 d .
O8D O 0.65842(12) 0.81389(13) 0.94084(12) 0.0606(10) Uani 1 1 d .
O9D O 0.62125(13) 0.81109(14) 0.99576(13) 0.0657(11) Uani 1 1 d .
C10D C 0.65834(19) 0.8292(2) 1.02015(18) 0.0627(15) Uani 1 1 d .
H10D H 0.6786 0.8570 1.0091 0.075 Uiso 1 1 calc R
C11D C 0.6465(2) 0.8337(2) 1.0648(2) 0.0758(19) Uani 1 1 d .
C12D C 0.6128(2) 0.7891(3) 1.0783(2) 0.085(2) Uani 1 1 d .
H12G H 0.5998 0.7899 1.1043 0.101 Uiso 1 1 calc R
H12H H 0.5910 0.7758 1.0573 0.101 Uiso 1 1 calc R
C13D C 0.6371(3) 0.7655(3) 1.0835(3) 0.095(2) Uani 1 1 d .
H13G H 0.6364 0.7567 1.1121 0.114 Uiso 1 1 calc R
H13H H 0.6260 0.7410 1.0655 0.114 Uiso 1 1 calc R
C14D C 0.6805(3) 0.7981(3) 1.0709(3) 0.092(2) Uani 1 1 d .
H14D H 0.7025 0.7923 1.0803 0.111 Uiso 1 1 calc R
C15D C 0.6792(2) 0.8029(2) 1.0246(2) 0.082(2) Uani 1 1 d .
H15G H 0.6628 0.7757 1.0111 0.099 Uiso 1 1 calc R
H15H H 0.7074 0.8172 1.0128 0.099 Uiso 1 1 calc R
C16D C 0.6848(3) 0.8382(3) 1.0881(2) 0.099(3) Uani 1 1 d .
C17D C 0.7273(4) 0.8763(4) 1.0747(4) 0.162(5) Uani 1 1 d .
H17J H 0.7303 0.8759 1.0451 0.243 Uiso 1 1 calc R
H17K H 0.7500 0.8748 1.0880 0.243 Uiso 1 1 calc R
H17L H 0.7282 0.9020 1.0827 0.243 Uiso 1 1 calc R
C18D C 0.6808(3) 0.8389(3) 1.1362(2) 0.127(4) Uani 1 1 d .
H18J H 0.6861 0.8662 1.1448 0.191 Uiso 1 1 calc R
H18K H 0.7009 0.8329 1.1490 0.191 Uiso 1 1 calc R
H18L H 0.6528 0.8179 1.1444 0.191 Uiso 1 1 calc R
C19D C 0.6333(4) 0.8650(3) 1.0692(3) 0.127(4) Uani 1 1 d .
H19J H 0.6038 0.8524 1.0626 0.190 Uiso 1 1 calc R
H19K H 0.6493 0.8881 1.0506 0.190 Uiso 1 1 calc R
H19L H 0.6379 0.8752 1.0973 0.190 Uiso 1 1 calc R
O1E O 0.65431(11) 0.77454(11) 0.79992(12) 0.0543(9) Uani 1 1 d .
O2E O 0.58054(12) 0.71507(13) 0.80565(14) 0.0681(11) Uani 1 1 d .
C1E C 0.65045(17) 0.73743(17) 0.79221(18) 0.0529(14) Uani 1 1 d .
C2E C 0.60802(19) 0.70333(18) 0.7950(2) 0.0629(16) Uani 1 1 d .
C3E C 0.5991(2) 0.66434(19) 0.7876(3) 0.085(2) Uani 1 1 d .
H3E H 0.5713 0.6424 0.7894 0.102 Uiso 1 1 calc R
C4E C 0.6306(2) 0.6557(2) 0.7770(3) 0.092(2) Uani 1 1 d .
H4E H 0.6240 0.6280 0.7722 0.110 Uiso 1 1 calc R
C5E C 0.6709(2) 0.6873(2) 0.7737(2) 0.078(2) Uani 1 1 d .
H5E H 0.6917 0.6811 0.7659 0.094 Uiso 1 1 calc R
C6E C 0.68183(18) 0.72871(17) 0.78156(19) 0.0569(14) Uani 1 1 d .
C7E C 0.72528(19) 0.76260(18) 0.77900(17) 0.0545(14) Uani 1 1 d .
O8E O 0.73764(11) 0.79931(12) 0.78521(12) 0.0569(10) Uani 1 1 d .
O9E O 0.75130(12) 0.74856(12) 0.76920(13) 0.0623(10) Uani 1 1 d .
C10E C 0.79548(18) 0.78028(19) 0.7695(2) 0.0601(15) Uani 1 1 d .
H10E H 0.8032 0.7945 0.7965 0.072 Uiso 1 1 calc R
C11E C 0.8212(2) 0.7593(2) 0.7611(2) 0.0697(17) Uani 1 1 d .
C12E C 0.8064(2) 0.7360(2) 0.7197(2) 0.081(2) Uani 1 1 d .
H12I H 0.7759 0.7188 0.7189 0.098 Uiso 1 1 calc R
H12J H 0.8186 0.7181 0.7150 0.098 Uiso 1 1 calc R
C13E C 0.8222(3) 0.7713(3) 0.6873(2) 0.090(2) Uani 1 1 d .
H13I H 0.8419 0.7699 0.6681 0.107 Uiso 1 1 calc R
H13J H 0.7990 0.7703 0.6717 0.107 Uiso 1 1 calc R
C14E C 0.8434(2) 0.8098(2) 0.7134(2) 0.080(2) Uani 1 1 d .
H14E H 0.8628 0.8354 0.6982 0.096 Uiso 1 1 calc R
C15E C 0.8085(2) 0.8123(2) 0.7353(2) 0.0701(17) Uani 1 1 d .
H15I H 0.8185 0.8403 0.7466 0.084 Uiso 1 1 calc R
H15J H 0.7852 0.8054 0.7166 0.084 Uiso 1 1 calc R
C16E C 0.8637(2) 0.7985(3) 0.7481(3) 0.092(2) Uani 1 1 d .
C17E C 0.8838(2) 0.8318(3) 0.7817(3) 0.113(3) Uani 1 1 d .
H17M H 0.8843 0.8187 0.8074 0.170 Uiso 1 1 calc R
H17N H 0.8677 0.8457 0.7853 0.170 Uiso 1 1 calc R
H17O H 0.9121 0.8521 0.7737 0.170 Uiso 1 1 calc R
C18E C 0.8965(3) 0.7874(4) 0.7335(3) 0.134(4) Uani 1 1 d .
H18M H 0.9199 0.8118 0.7213 0.201 Uiso 1 1 calc R
H18N H 0.8841 0.7652 0.7133 0.201 Uiso 1 1 calc R
H18O H 0.9062 0.7782 0.7569 0.201 Uiso 1 1 calc R
C19E C 0.8226(3) 0.7327(3) 0.7966(3) 0.104(3) Uani 1 1 d .
H19M H 0.7945 0.7115 0.8038 0.155 Uiso 1 1 calc R
H19N H 0.8360 0.7503 0.8202 0.155 Uiso 1 1 calc R
H19O H 0.8384 0.7194 0.7880 0.155 Uiso 1 1 calc R
O1F O 0.63168(12) 0.83532(11) 0.79375(12) 0.0538(9) Uani 1 1 d .
O2F O 0.58264(13) 0.77343(14) 0.75125(13) 0.0690(11) Uani 1 1 d .
C1F C 0.62184(17) 0.84517(18) 0.75791(18) 0.0534(13) Uani 1 1 d .
C2F C 0.59442(19) 0.8112(2) 0.7334(2) 0.0624(15) Uani 1 1 d .
C3F C 0.5802(2) 0.8160(2) 0.6965(2) 0.0766(19) Uani 1 1 d .
H3F H 0.5613 0.7926 0.6811 0.092 Uiso 1 1 calc R
C4F C 0.5940(3) 0.8558(3) 0.6821(2) 0.086(2) Uani 1 1 d .
H4F H 0.5845 0.8596 0.6565 0.103 Uiso 1 1 calc R
C5F C 0.6213(2) 0.8897(2) 0.7046(2) 0.0769(19) Uani 1 1 d .
H5F H 0.6309 0.9166 0.6940 0.092 Uiso 1 1 calc R
C6F C 0.63539(19) 0.8851(2) 0.74314(19) 0.0602(15) Uani 1 1 d .
C7F C 0.66454(18) 0.92249(18) 0.7672(2) 0.0550(14) Uani 1 1 d .
O8F O 0.67992(12) 0.92217(12) 0.79977(12) 0.0602(10) Uani 1 1 d .
O9F O 0.67312(14) 0.95775(13) 0.74848(13) 0.0655(11) Uani 1 1 d .
C10F C 0.7046(2) 0.9962(2) 0.7673(2) 0.0702(17) Uani 1 1 d .
H10F H 0.7311 0.9958 0.7698 0.084 Uiso 1 1 calc R
C11F C 0.7112(3) 1.0323(2) 0.7397(2) 0.082(2) Uani 1 1 d .
C12F C 0.6682(3) 1.0295(3) 0.7351(3) 0.107(3) Uani 1 1 d .
H12K H 0.6466 1.0012 0.7275 0.129 Uiso 1 1 calc R
H12L H 0.6692 1.0491 0.7142 0.129 Uiso 1 1 calc R
C13F C 0.6595(3) 1.0415(3) 0.7791(3) 0.115(3) Uani 1 1 d .
H13K H 0.6568 1.0666 0.7781 0.137 Uiso 1 1 calc R
H13L H 0.6343 1.0185 0.7914 0.137 Uiso 1 1 calc R
C14F C 0.6976(3) 1.0493(3) 0.8014(3) 0.103(3) Uani 1 1 d .
H14F H 0.7027 1.0659 0.8268 0.123 Uiso 1 1 calc R
C15F C 0.6925(2) 1.0058(3) 0.8093(2) 0.082(2) Uani 1 1 d .
H15K H 0.7114 1.0067 0.8310 0.098 Uiso 1 1 calc R
H15L H 0.6637 0.9852 0.8166 0.098 Uiso 1 1 calc R
C16F C 0.7320(3) 1.0689(2) 0.7713(3) 0.094(2) Uani 1 1 d .
C17F C 0.7736(3) 1.0762(3) 0.7874(4) 0.129(4) Uani 1 1 d .
H17P H 0.7936 1.0854 0.7650 0.194 Uiso 1 1 calc R
H17Q H 0.7702 1.0505 0.7987 0.194 Uiso 1 1 calc R
H17R H 0.7837 1.0975 0.8086 0.194 Uiso 1 1 calc R
C18F C 0.7390(4) 1.1105(3) 0.7535(4) 0.143(4) Uani 1 1 d .
H18P H 0.7123 1.1078 0.7465 0.215 Uiso 1 1 calc R
H18Q H 0.7562 1.1174 0.7290 0.215 Uiso 1 1 calc R
H18R H 0.7529 1.1324 0.7738 0.215 Uiso 1 1 calc R
C19F C 0.7330(4) 1.0338(3) 0.6998(3) 0.137(4) Uani 1 1 d .
H19P H 0.7601 1.0370 0.7057 0.206 Uiso 1 1 calc R
H19Q H 0.7365 1.0573 0.6834 0.206 Uiso 1 1 calc R
H19R H 0.7163 1.0081 0.6846 0.206 Uiso 1 1 calc R
Li5 Li 0.2742(3) 0.6494(3) 1.1545(3) 0.063(3) Uani 1 1 d .
Li6 Li 0.3333 0.6667 1.4078(8) 0.125(10) Uani 1 3 d S
Ti3 Ti 0.3333 0.6667 1.24155(5) 0.0534(4) Uani 1 3 d S
Ti4 Ti 0.3333 0.6667 1.06662(5) 0.0592(5) Uani 1 3 d S
O1G O 0.28603(12) 0.62903(12) 1.20379(11) 0.0543(9) Uani 1 1 d .
O2G O 0.30569(13) 0.61704(13) 1.27405(12) 0.0623(10) Uani 1 1 d .
C1G C 0.25772(18) 0.59275(18) 1.22032(17) 0.0517(13) Uani 1 1 d .
C2G C 0.26857(18) 0.58564(18) 1.26050(18) 0.0540(14) Uani 1 1 d .
C3G C 0.2428(2) 0.5514(2) 1.2824(2) 0.0654(16) Uani 1 1 d .
H3G H 0.2501 0.5478 1.3092 0.078 Uiso 1 1 calc R
C4G C 0.2055(2) 0.5217(2) 1.2652(2) 0.079(2) Uani 1 1 d .
H4G H 0.1874 0.4978 1.2805 0.094 Uiso 1 1 calc R
C5G C 0.1943(2) 0.5265(2) 1.2262(2) 0.0718(18) Uani 1 1 d .
H5G H 0.1692 0.5055 1.2147 0.086 Uiso 1 1 calc R
C6G C 0.22051(18) 0.56270(19) 1.20308(18) 0.0576(15) Uani 1 1 d .
C7G C 0.2083(2) 0.5671(2) 1.16091(19) 0.0616(15) Uani 1 1 d .
O8G O 0.22873(14) 0.59673(14) 1.13909(12) 0.0656(11) Uani 1 1 d .
O9G O 0.17214(14) 0.53519(13) 1.14905(13) 0.0701(12) Uani 1 1 d .
C10G C 0.1608(2) 0.5356(2) 1.1067(2) 0.0721(18) Uani 1 1 d .
H10G H 0.1826 0.5371 1.0879 0.087 Uiso 1 1 calc R
C11G C 0.1178(2) 0.4938(3) 1.0998(2) 0.086(2) Uani 1 1 d .
C12G C 0.0874(2) 0.4917(3) 1.1318(3) 0.096(2) Uani 1 1 d .
H12M H 0.0621 0.4642 1.1317 0.115 Uiso 1 1 calc R
H12N H 0.1000 0.4971 1.1592 0.115 Uiso 1 1 calc R
C13G C 0.0774(3) 0.5250(4) 1.1199(3) 0.116(3) Uani 1 1 d .
H13M H 0.0851 0.5457 1.1419 0.140 Uiso 1 1 calc R
H13N H 0.0476 0.5129 1.1138 0.140 Uiso 1 1 calc R
C14G C 0.1041(3) 0.5445(3) 1.0812(3) 0.106(3) Uani 1 1 d .
H14G H 0.0949 0.5603 1.0637 0.128 Uiso 1 1 calc R
C15G C 0.1502(3) 0.5703(3) 1.0967(2) 0.091(2) Uani 1 1 d .
H15M H 0.1686 0.5891 1.0752 0.110 Uiso 1 1 calc R
H15N H 0.1523 0.5866 1.1212 0.110 Uiso 1 1 calc R
C16G C 0.1018(3) 0.5065(4) 1.0606(3) 0.116(3) Uani 1 1 d .
C17G C 0.1319(4) 0.5178(5) 1.0227(3) 0.165(6) Uani 1 1 d .
H17S H 0.1178 0.5189 0.9981 0.248 Uiso 1 1 calc R
H17T H 0.1400 0.4967 1.0195 0.248 Uiso 1 1 calc R
H17U H 0.1566 0.5448 1.0272 0.248 Uiso 1 1 calc R
C18G C 0.0581(4) 0.4719(5) 1.0484(4) 0.184(6) Uani 1 1 d .
H18S H 0.0401 0.4631 1.0724 0.277 Uiso 1 1 calc R
H18T H 0.0597 0.4483 1.0375 0.277 Uiso 1 1 calc R
H18U H 0.0468 0.4823 1.0276 0.277 Uiso 1 1 calc R
C19G C 0.1239(3) 0.4556(3) 1.0983(4) 0.138(4) Uani 1 1 d .
H19S H 0.1330 0.4516 1.1251 0.206 Uiso 1 1 calc R
H19T H 0.1448 0.4601 1.0778 0.206 Uiso 1 1 calc R
H19U H 0.0977 0.4310 1.0912 0.206 Uiso 1 1 calc R
O1H O 0.30043(12) 0.68272(12) 1.10469(11) 0.0558(9) Uani 1 1 d .
O2H O 0.33037(14) 0.70819(14) 1.03472(12) 0.0660(11) Uani 1 1 d .
C1H C 0.28918(19) 0.70812(19) 1.08838(17) 0.0563(14) Uani 1 1 d .
C2H C 0.3064(2) 0.72295(19) 1.04909(18) 0.0613(15) Uani 1 1 d .
C3H C 0.2975(2) 0.7500(2) 1.0275(2) 0.0759(19) Uani 1 1 d .
H3H H 0.3080 0.7587 1.0007 0.091 Uiso 1 1 calc R
C4H C 0.2732(2) 0.7639(2) 1.0459(2) 0.081(2) Uani 1 1 d .
H4H H 0.2682 0.7834 1.0320 0.097 Uiso 1 1 calc R
C5H C 0.2555(2) 0.7496(2) 1.0851(2) 0.0739(19) Uani 1 1 d .
H5H H 0.2382 0.7588 1.0967 0.089 Uiso 1 1 calc R
C6H C 0.26370(19) 0.7215(2) 1.10687(18) 0.0601(15) Uani 1 1 d .
C7H C 0.24641(19) 0.7079(2) 1.14775(19) 0.0599(15) Uani 1 1 d .
O8H O 0.25302(14) 0.68486(14) 1.16989(12) 0.0654(11) Uani 1 1 d .
O9H O 0.22294(14) 0.72375(14) 1.16080(12) 0.0683(11) Uani 1 1 d .
C10H C 0.2096(2) 0.7157(2) 1.2033(2) 0.0662(16) Uani 1 1 d .
H10H H 0.2343 0.7260 1.2215 0.079 Uiso 1 1 calc R
C11H C 0.1864(3) 0.7380(3) 1.2131(2) 0.082(2) Uani 1 1 d .
C12H C 0.1494(4) 0.7232(4) 1.1821(3) 0.125(4) Uani 1 1 d .
H12O H 0.1371 0.7413 1.1832 0.150 Uiso 1 1 calc R
H12P H 0.1585 0.7226 1.1539 0.150 Uiso 1 1 calc R
C13H C 0.1184(4) 0.6788(5) 1.1976(4) 0.160(5) Uani 1 1 d .
H13O H 0.1116 0.6581 1.1758 0.193 Uiso 1 1 calc R
H13P H 0.0925 0.6771 1.2074 0.193 Uiso 1 1 calc R
C14H C 0.1424(3) 0.6720(4) 1.2339(3) 0.115(3) Uani 1 1 d .
H14H H 0.1249 0.6484 1.2525 0.137 Uiso 1 1 calc R
C15H C 0.1785(2) 0.6700(3) 1.2136(2) 0.089(2) Uani 1 1 d .
H15O H 0.1693 0.6529 1.1886 0.107 Uiso 1 1 calc R
H15P H 0.1909 0.6585 1.2324 0.107 Uiso 1 1 calc R
C16H C 0.1638(3) 0.7153(3) 1.2541(3) 0.097(3) Uani 1 1 d .
C17H C 0.1921(3) 0.7198(3) 1.2894(2) 0.109(3) Uani 1 1 d .
H17V H 0.2138 0.7145 1.2798 0.163 Uiso 1 1 calc R
H17W H 0.1760 0.6998 1.3107 0.163 Uiso 1 1 calc R
H17$ H 0.2046 0.7478 1.3005 0.163 Uiso 1 1 calc R
C18H C 0.1337(4) 0.7298(5) 1.2711(3) 0.166(6) Uani 1 1 d .
H18V H 0.1495 0.7592 1.2780 0.250 Uiso 1 1 calc R
H18W H 0.1198 0.7138 1.2956 0.250 Uiso 1 1 calc R
H18$ H 0.1130 0.7253 1.2504 0.250 Uiso 1 1 calc R
C19H C 0.2139(4) 0.7851(3) 1.2147(3) 0.130(4) Uani 1 1 d .
H19V H 0.2354 0.7926 1.2353 0.195 Uiso 1 1 calc R
H19W H 0.1970 0.7976 1.2217 0.195 Uiso 1 1 calc R
H19$ H 0.2267 0.7953 1.1880 0.195 Uiso 1 1 calc R
O101 O 0.9127(4) 0.8039(5) 0.8825(4) 0.225(5) Uani 1 1 d U
C102 C 0.9246(6) 0.7813(6) 0.8778(5) 0.174(6) Uani 1 1 d U
H102 H 0.9119 0.7591 0.8590 0.209 Uiso 1 1 calc R
N103 N 0.9583(2) 0.7879(3) 0.9011(2) 0.110(2) Uani 1 1 d U
C104 C 0.9723(3) 0.7590(4) 0.8938(3) 0.126(3) Uani 1 1 d U
H10I H 0.9991 0.7731 0.8799 0.189 Uiso 1 1 calc R
H10J H 0.9522 0.7364 0.8766 0.189 Uiso 1 1 calc R
H10K H 0.9752 0.7478 0.9198 0.189 Uiso 1 1 calc R
C105 C 0.9812(3) 0.8224(3) 0.9264(3) 0.120(3) Uani 1 1 d U
H10L H 0.9800 0.8132 0.9546 0.180 Uiso 1 1 calc R
H10M H 0.9694 0.8407 0.9250 0.180 Uiso 1 1 calc R
H10N H 1.0100 0.8375 0.9173 0.180 Uiso 1 1 calc R
O111 O 0.2779(2) 0.6320(2) 1.3881(2) 0.122(2) Uani 1 1 d DU
C112 C 0.2617(3) 0.6369(3) 1.3569(3) 0.097(2) Uani 1 1 d DU
H112 H 0.2799 0.6567 1.3378 0.117 Uiso 1 1 calc R
N113 N 0.2216(2) 0.6176(2) 1.3474(2) 0.097(2) Uani 1 1 d DU
C114 C 0.2085(3) 0.6263(3) 1.3090(3) 0.132(4) Uani 1 1 d DU
H11A H 0.2314 0.6513 1.2970 0.198 Uiso 1 1 calc R
H11B H 0.1850 0.6306 1.3137 0.198 Uiso 1 1 calc R
H11C H 0.2003 0.6030 1.2904 0.198 Uiso 1 1 calc R
C115 C 0.1921(4) 0.5874(4) 1.3736(4) 0.156(4) Uani 1 1 d DU
H11D H 0.2019 0.5689 1.3829 0.233 Uiso 1 1 calc R
H11E H 0.1659 0.5713 1.3590 0.233 Uiso 1 1 calc R
H11F H 0.1878 0.6009 1.3972 0.233 Uiso 1 1 calc R
O121 O 0.3595(9) 0.7924(8) 0.9312(7) 0.440(15) Uani 1 1 d DU
C122 C 0.3541(8) 0.7957(6) 0.8935(7) 0.267(10) Uani 1 1 d DU
H122 H 0.3547 0.7769 0.8744 0.320 Uiso 1 1 calc R
N123 N 0.3474(4) 0.8263(5) 0.8807(5) 0.195(5) Uani 1 1 d DU
C124 C 0.3601(8) 0.8420(7) 0.8397(6) 0.289(11) Uani 1 1 d DU
H12Q H 0.3902 0.8555 0.8375 0.433 Uiso 1 1 calc R
H12R H 0.3512 0.8620 0.8336 0.433 Uiso 1 1 calc R
H12S H 0.3473 0.8190 0.8203 0.433 Uiso 1 1 calc R
C125 C 0.3370(7) 0.8474(7) 0.9089(6) 0.270(10) Uani 1 1 d DU
H12T H 0.3069 0.8350 0.9098 0.404 Uiso 1 1 calc R
H12U H 0.3496 0.8764 0.9008 0.404 Uiso 1 1 calc R
H12V H 0.3471 0.8456 0.9359 0.404 Uiso 1 1 calc R
O131 O 0.3496(9) 0.8443(9) 0.7344(8) 0.440(14) Uani 1 1 d DU
C132 C 0.3204(8) 0.8474(11) 0.7177(10) 0.45(3) Uani 1 1 d DU
H132 H 0.2930 0.8310 0.7275 0.539 Uiso 1 1 calc R
N133 N 0.3279(6) 0.8735(5) 0.6862(5) 0.229(6) Uani 1 1 d DU
C134 C 0.3613(7) 0.8804(8) 0.6585(7) 0.300(12) Uani 1 1 d DU
H13Q H 0.3581 0.8538 0.6502 0.450 Uiso 1 1 calc R
H13R H 0.3879 0.8968 0.6723 0.450 Uiso 1 1 calc R
H13S H 0.3603 0.8954 0.6344 0.450 Uiso 1 1 calc R
C135 C 0.3038(7) 0.8913(8) 0.6804(7) 0.291(12) Uani 1 1 d DU
H13T H 0.2849 0.8846 0.7035 0.437 Uiso 1 1 calc R
H13U H 0.2879 0.8807 0.6552 0.437 Uiso 1 1 calc R
H13V H 0.3215 0.9213 0.6785 0.437 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ti Ti 0.2776 0.4457 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O8D Li1 O8A 111.3(6) . .
O8D Li1 O1D 94.6(5) . .
O8A Li1 O1D 107.4(5) . .
O8D Li1 O1A 111.3(5) . .
O8A Li1 O1A 91.6(5) . .
O1D Li1 O1A 139.8(6) . .
O8D Li1 Li3 97.2(5) . .
O8A Li1 Li3 150.0(5) . .
O1D Li1 Li3 59.4(4) . .
O1A Li1 Li3 86.5(4) . .
O8D Li1 Li2 152.4(5) . .
O8A Li1 Li2 94.8(4) . .
O1D Li1 Li2 85.8(4) . .
O1A Li1 Li2 57.0(3) . .
Li3 Li1 Li2 59.4(3) . .
O8D Li1 Ti2 124.0(4) . .
O8A Li1 Ti2 93.7(4) . .
O1D Li1 Ti2 29.4(2) . .
O1A Li1 Ti2 117.3(4) . .
Li3 Li1 Ti2 61.2(3) . .
Li2 Li1 Ti2 60.4(2) . .
O8D Li1 Ti1 97.1(4) . .
O8A Li1 Ti1 121.7(4) . .
O1D Li1 Ti1 120.2(5) . .
O1A Li1 Ti1 30.2(2) . .
Li3 Li1 Ti1 61.0(3) . .
Li2 Li1 Ti1 59.9(2) . .
Ti2 Li1 Ti1 111.2(3) . .
O8E Li2 O8B 106.2(5) . .
O8E Li2 O1E 92.9(4) . .
O8B Li2 O1E 110.9(5) . .
O8E Li2 O1B 109.7(5) . .
O8B Li2 O1B 91.6(4) . .
O1E Li2 O1B 142.6(6) . .
O8E Li2 Li3 154.7(5) . .
O8B Li2 Li3 97.3(4) . .
O1E Li2 Li3 87.2(4) . .
O1B Li2 Li3 59.7(3) . .
O8E Li2 Li1 100.1(4) . .
O8B Li2 Li1 152.6(5) . .
O1E Li2 Li1 59.3(3) . .
O1B Li2 Li1 86.8(4) . .
Li3 Li2 Li1 58.5(3) . .
O8E Li2 Ti1 97.9(4) . .
O8B Li2 Ti1 122.2(4) . .
O1E Li2 Ti1 119.6(4) . .
O1B Li2 Ti1 30.63(19) . .
Li3 Li2 Ti1 60.9(2) . .
Li1 Li2 Ti1 60.2(2) . .
O8E Li2 Ti2 123.0(4) . .
O8B Li2 Ti2 98.2(4) . .
O1E Li2 Ti2 30.2(2) . .
O1B Li2 Ti2 120.4(4) . .
Li3 Li2 Ti2 60.8(2) . .
Li1 Li2 Ti2 60.0(2) . .
Ti1 Li2 Ti2 111.2(3) . .
O1C Li3 O8C 92.7(4) . .
O1C Li3 O8F 110.5(5) . .
O8C Li3 O8F 102.7(5) . .
O1C Li3 O1F 144.3(6) . .
O8C Li3 O1F 110.0(5) . .
O8F Li3 O1F 91.6(4) . .
O1C Li3 Li1 60.0(3) . .
O8C Li3 Li1 98.5(4) . .
O8F Li3 Li1 157.2(5) . .
O1F Li3 Li1 88.8(4) . .
O1C Li3 Li2 88.1(4) . .
O8C Li3 Li2 156.8(5) . .
O8F Li3 Li2 98.7(4) . .
O1F Li3 Li2 60.2(3) . .
Li1 Li3 Li2 62.1(3) . .
O1C Li3 Ti1 30.5(2) . .
O8C Li3 Ti1 123.1(4) . .
O8F Li3 Ti1 99.6(4) . .
O1F Li3 Ti1 120.9(4) . .
Li1 Li3 Ti1 61.4(2) . .
Li2 Li3 Ti1 60.8(2) . .
O1C Li3 Ti2 121.2(4) . .
O8C Li3 Ti2 99.2(4) . .
O8F Li3 Ti2 122.2(4) . .
O1F Li3 Ti2 30.7(2) . .
Li1 Li3 Ti2 61.2(2) . .
Li2 Li3 Ti2 61.2(2) . .
Ti1 Li3 Ti2 111.5(3) . .
O2A Ti1 O2C 93.72(18) . .
O2A Ti1 O2B 94.87(17) . .
O2C Ti1 O2B 93.47(18) . .
O2A Ti1 O1A 79.48(16) . .
O2C Ti1 O1A 103.30(17) . .
O2B Ti1 O1A 162.56(17) . .
O2A Ti1 O1B 103.16(17) . .
O2C Ti1 O1B 161.88(17) . .
O2B Ti1 O1B 78.75(15) . .
O1A Ti1 O1B 86.43(15) . .
O2A Ti1 O1C 162.26(17) . .
O2C Ti1 O1C 79.52(17) . .
O2B Ti1 O1C 101.85(17) . .
O1A Ti1 O1C 86.09(15) . .
O1B Ti1 O1C 86.04(16) . .
O2A Ti1 Li2 96.4(2) . .
O2C Ti1 Li2 155.3(2) . .
O2B Ti1 Li2 108.02(19) . .
O1A Ti1 Li2 56.90(19) . .
O1B Ti1 Li2 29.54(18) . .
O1C Ti1 Li2 84.1(2) . .
O2A Ti1 Li3 154.4(2) . .
O2C Ti1 Li3 108.1(2) . .
O2B Ti1 Li3 96.9(2) . .
O1A Ti1 Li3 82.55(19) . .
O1B Ti1 Li3 57.4(2) . .
O1C Ti1 Li3 28.7(2) . .
Li2 Ti1 Li3 58.3(2) . .
O2A Ti1 Li1 108.3(2) . .
O2C Ti1 Li1 95.5(2) . .
O2B Ti1 Li1 154.5(2) . .
O1A Ti1 Li1 29.3(2) . .
O1B Ti1 Li1 85.5(2) . .
O1C Ti1 Li1 56.7(2) . .
Li2 Ti1 Li1 59.9(2) . .
Li3 Ti1 Li1 57.6(2) . .
O2F Ti2 O2D 93.5(2) . .
O2F Ti2 O2E 92.8(2) . .
O2D Ti2 O2E 94.03(19) . .
O2F Ti2 O1D 161.33(18) . .
O2D Ti2 O1D 79.66(17) . .
O2E Ti2 O1D 104.89(18) . .
O2F Ti2 O1F 79.17(18) . .
O2D Ti2 O1F 103.23(18) . .
O2E Ti2 O1F 161.31(18) . .
O1D Ti2 O1F 85.48(16) . .
O2F Ti2 O1E 102.49(18) . .
O2D Ti2 O1E 162.85(18) . .
O2E Ti2 O1E 79.17(17) . .
O1D Ti2 O1E 86.85(16) . .
O1F Ti2 O1E 86.05(15) . .
O2F Ti2 Li1 155.9(2) . .
O2D Ti2 Li1 107.2(2) . .
O2E Ti2 Li1 97.8(2) . .
O1D Ti2 Li1 28.0(2) . .
O1F Ti2 Li1 84.0(2) . .
O1E Ti2 Li1 58.9(2) . .
O2F Ti2 Li3 108.4(2) . .
O2D Ti2 Li3 97.8(2) . .
O2E Ti2 Li3 154.9(2) . .
O1D Ti2 Li3 56.1(2) . .
O1F Ti2 Li3 29.4(2) . .
O1E Ti2 Li3 83.2(2) . .
Li1 Ti2 Li3 57.5(2) . .
O2F Ti2 Li2 96.5(2) . .
O2D Ti2 Li2 155.6(2) . .
O2E Ti2 Li2 107.6(2) . .
O1D Ti2 Li2 83.9(2) . .
O1F Ti2 Li2 57.36(19) . .
O1E Ti2 Li2 28.72(18) . .
Li1 Ti2 Li2 59.7(2) . .
Li3 Ti2 Li2 58.0(2) . .
C1A O1A Li1 122.9(5) . .
C1A O1A Ti1 114.3(3) . .
Li1 O1A Ti1 120.5(4) . .
C2A O2A Ti1 118.5(3) . .
O1A C1A C6A 127.3(5) . .
O1A C1A C2A 114.2(5) . .
C6A C1A C2A 118.5(5) . .
O2A C2A C3A 126.5(6) . .
O2A C2A C1A 113.0(5) . .
C3A C2A C1A 120.5(6) . .
C2A C3A C4A 120.2(6) . .
C2A C3A H3A 119.9 . .
C4A C3A H3A 119.9 . .
C5A C4A C3A 120.1(6) . .
C5A C4A H4A 120.0 . .
C3A C4A H4A 120.0 . .
C4A C5A C6A 123.4(6) . .
C4A C5A H5A 118.3 . .
C6A C5A H5A 118.3 . .
C1A C6A C5A 117.2(6) . .
C1A C6A C7A 120.3(5) . .
C5A C6A C7A 122.5(5) . .
O8A C7A O9A 122.1(5) . .
O8A C7A C6A 124.6(5) . .
O9A C7A C6A 113.2(5) . .
C7A O8A Li1 129.8(5) . .
C7A O9A C10A 115.8(5) . .
O9A C10A C11A 108.9(7) . .
O9A C10A C15A 115.5(7) . .
C11A C10A C15A 106.2(7) . .
O9A C10A H10A 108.7 . .
C11A C10A H10A 108.7 . .
C15A C10A H10A 108.7 . .
C19A C11A C10A 113.8(9) . .
C19A C11A C12A 118.0(10) . .
C10A C11A C12A 107.1(8) . .
C19A C11A C16A 117.9(10) . .
C10A C11A C16A 98.8(8) . .
C12A C11A C16A 98.5(10) . .
C11A C12A C13A 103.1(10) . .
C11A C12A H12A 111.1 . .
C13A C12A H12A 111.1 . .
C11A C12A H12B 111.1 . .
C13A C12A H12B 111.1 . .
H12A C12A H12B 109.1 . .
C14A C13A C12A 102.8(10) . .
C14A C13A H13A 111.2 . .
C12A C13A H13A 111.2 . .
C14A C13A H13B 111.2 . .
C12A C13A H13B 111.2 . .
H13A C13A H13B 109.1 . .
C16A C14A C13A 102.0(13) . .
C16A C14A C15A 105.4(10) . .
C13A C14A C15A 104.8(10) . .
C16A C14A H14A 114.4 . .
C13A C14A H14A 114.4 . .
C15A C14A H14A 114.4 . .
C10A C15A C14A 101.9(9) . .
C10A C15A H15A 111.4 . .
C14A C15A H15A 111.4 . .
C10A C15A H15B 111.4 . .
C14A C15A H15B 111.4 . .
H15A C15A H15B 109.3 . .
C14A C16A C17A 110.0(13) . .
C14A C16A C11A 96.3(9) . .
C17A C16A C11A 111.9(11) . .
C14A C16A C18A 115.5(13) . .
C17A C16A C18A 110.0(11) . .
C11A C16A C18A 112.6(11) . .
C16A C17A H17A 109.5 . .
C16A C17A H17B 109.5 . .
H17A C17A H17B 109.5 . .
C16A C17A H17C 109.5 . .
H17A C17A H17C 109.5 . .
H17B C17A H17C 109.5 . .
C16A C18A H18A 109.5 . .
C16A C18A H18B 109.5 . .
H18A C18A H18B 109.5 . .
C16A C18A H18C 109.5 . .
H18A C18A H18C 109.5 . .
H18B C18A H18C 109.5 . .
C11A C19A H19A 109.5 . .
C11A C19A H19B 109.5 . .
H19A C19A H19B 109.5 . .
C11A C19A H19C 109.5 . .
H19A C19A H19C 109.5 . .
H19B C19A H19C 109.5 . .
C1B O1B Li2 124.3(4) . .
C1B O1B Ti1 114.5(3) . .
Li2 O1B Ti1 119.8(3) . .
C2B O2B Ti1 118.4(3) . .
O1B C1B C6B 126.2(5) . .
O1B C1B C2B 114.1(5) . .
C6B C1B C2B 119.8(5) . .
O2B C2B C3B 125.3(5) . .
O2B C2B C1B 113.9(5) . .
C3B C2B C1B 120.7(5) . .
C2B C3B C4B 118.7(6) . .
C2B C3B H3B 120.6 . .
C4B C3B H3B 120.6 . .
C5B C4B C3B 122.1(6) . .
C5B C4B H4B 118.9 . .
C3B C4B H4B 118.9 . .
C4B C5B C6B 119.5(6) . .
C4B C5B H5B 120.2 . .
C6B C5B H5B 120.2 . .
C1B C6B C5B 119.1(5) . .
C1B C6B C7B 121.5(5) . .
C5B C6B C7B 119.4(5) . .
O8B C7B O9B 121.9(5) . .
O8B C7B C6B 125.1(5) . .
O9B C7B C6B 113.0(5) . .
C7B O8B Li2 129.0(5) . .
C7B O9B C10B 115.5(5) . .
O9B C10B C11B 109.2(5) . .
O9B C10B C15B 114.7(6) . .
C11B C10B C15B 104.7(6) . .
O9B C10B H10B 109.4 . .
C11B C10B H10B 109.4 . .
C15B C10B H10B 109.4 . .
C19B C11B C16B 119.1(7) . .
C19B C11B C10B 113.5(7) . .
C16B C11B C10B 100.0(6) . .
C19B C11B C12B 115.2(9) . .
C16B C11B C12B 100.7(8) . .
C10B C11B C12B 106.4(7) . .
C13B C12B C11B 104.8(9) . .
C13B C12B H12C 110.8 . .
C11B C12B H12C 110.8 . .
C13B C12B H12D 110.8 . .
C11B C12B H12D 110.8 . .
H12C C12B H12D 108.9 . .
C14B C13B C12B 102.1(9) . .
C14B C13B H13C 111.3 . .
C12B C13B H13C 111.3 . .
C14B C13B H13D 111.3 . .
C12B C13B H13D 111.3 . .
H13C C13B H13D 109.2 . .
C13B C14B C16B 104.5(12) . .
C13B C14B C15B 108.1(10) . .
C16B C14B C15B 103.1(9) . .
C13B C14B H14B 113.4 . .
C16B C14B H14B 113.4 . .
C15B C14B H14B 113.4 . .
C14B C15B C10B 101.0(7) . .
C14B C15B H15C 111.6 . .
C10B C15B H15C 111.6 . .
C14B C15B H15D 111.6 . .
C10B C15B H15D 111.6 . .
H15C C15B H15D 109.4 . .
C17B C16B C11B 113.3(8) . .
C17B C16B C14B 114.2(11) . .
C11B C16B C14B 93.4(7) . .
C17B C16B C18B 107.7(7) . .
C11B C16B C18B 114.2(8) . .
C14B C16B C18B 113.7(9) . .
C16B C17B H17D 109.5 . .
C16B C17B H17E 109.5 . .
H17D C17B H17E 109.5 . .
C16B C17B H17F 109.5 . .
H17D C17B H17F 109.5 . .
H17E C17B H17F 109.5 . .
C16B C18B H18D 109.5 . .
C16B C18B H18E 109.5 . .
H18D C18B H18E 109.5 . .
C16B C18B H18F 109.5 . .
H18D C18B H18F 109.5 . .
H18E C18B H18F 109.5 . .
C11B C19B H19D 109.5 . .
C11B C19B H19E 109.5 . .
H19D C19B H19E 109.5 . .
C11B C19B H19F 109.5 . .
H19D C19B H19F 109.5 . .
H19E C19B H19F 109.5 . .
C1C O1C Li3 124.1(5) . .
C1C O1C Ti1 112.9(3) . .
Li3 O1C Ti1 120.8(4) . .
C2C O2C Ti1 117.4(4) . .
O1C C1C C6C 126.0(5) . .
O1C C1C C2C 114.6(5) . .
C6C C1C C2C 119.4(5) . .
O2C C2C C3C 125.3(6) . .
O2C C2C C1C 114.0(5) . .
C3C C2C C1C 120.7(6) . .
C4C C3C C2C 120.3(6) . .
C4C C3C H3C 119.9 . .
C2C C3C H3C 119.9 . .
C3C C4C C5C 121.1(6) . .
C3C C4C H4C 119.5 . .
C5C C4C H4C 119.5 . .
C4C C5C C6C 120.6(6) . .
C4C C5C H5C 119.7 . .
C6C C5C H5C 119.7 . .
C1C C6C C5C 118.0(6) . .
C1C C6C C7C 120.8(5) . .
C5C C6C C7C 121.1(6) . .
O8C C7C O9C 121.4(6) . .
O8C C7C C6C 126.3(5) . .
O9C C7C C6C 112.3(5) . .
C7C O8C Li3 126.5(5) . .
C7C O9C C10C 116.2(5) . .
O9C C10C C11C 110.0(6) . .
O9C C10C C15C 114.5(6) . .
C11C C10C C15C 103.6(6) . .
O9C C10C H10C 109.5 . .
C11C C10C H10C 109.5 . .
C15C C10C H10C 109.5 . .
C19C C11C C16C 119.5(9) . .
C19C C11C C10C 113.3(7) . .
C16C C11C C10C 100.8(7) . .
C19C C11C C12C 113.6(8) . .
C16C C11C C12C 103.0(8) . .
C10C C11C C12C 104.7(7) . .
C11C C12C C13C 103.0(8) . .
C11C C12C H12E 111.2 . .
C13C C12C H12E 111.2 . .
C11C C12C H12F 111.2 . .
C13C C12C H12F 111.2 . .
H12E C12C H12F 109.1 . .
C14C C13C C12C 102.5(9) . .
C14C C13C H13E 111.3 . .
C12C C13C H13E 111.3 . .
C14C C13C H13F 111.3 . .
C12C C13C H13F 111.3 . .
H13E C13C H13F 109.2 . .
C15C C14C C13C 106.1(8) . .
C15C C14C C16C 103.0(7) . .
C13C C14C C16C 102.3(9) . .
C15C C14C H14C 114.6 . .
C13C C14C H14C 114.6 . .
C16C C14C H14C 114.6 . .
C14C C15C C10C 103.9(7) . .
C14C C15C H15E 111.0 . .
C10C C15C H15E 111.0 . .
C14C C15C H15F 111.0 . .
C10C C15C H15F 111.0 . .
H15E C15C H15F 109.0 . .
C17C C16C C11C 114.9(8) . .
C17C C16C C18C 108.0(9) . .
C11C C16C C18C 112.5(8) . .
C17C C16C C14C 112.9(9) . .
C11C C16C C14C 93.9(7) . .
C18C C16C C14C 114.3(9) . .
C16C C17C H17G 109.5 . .
C16C C17C H17H 109.5 . .
H17G C17C H17H 109.5 . .
C16C C17C H17I 109.5 . .
H17G C17C H17I 109.5 . .
H17H C17C H17I 109.5 . .
C16C C18C H18G 109.5 . .
C16C C18C H18H 109.5 . .
H18G C18C H18H 109.5 . .
C16C C18C H18I 109.5 . .
H18G C18C H18I 109.5 . .
H18H C18C H18I 109.5 . .
C11C C19C H19G 109.5 . .
C11C C19C H19H 109.5 . .
H19G C19C H19H 109.5 . .
C11C C19C H19I 109.5 . .
H19G C19C H19I 109.5 . .
H19H C19C H19I 109.5 . .
C1D O1D Li1 121.2(5) . .
C1D O1D Ti2 114.3(3) . .
Li1 O1D Ti2 122.7(4) . .
C2D O2D Ti2 118.8(4) . .
O1D C1D C6D 127.6(5) . .
O1D C1D C2D 114.0(5) . .
C6D C1D C2D 118.3(5) . .
C3D C2D O2D 125.2(6) . .
C3D C2D C1D 121.8(6) . .
O2D C2D C1D 112.9(5) . .
C2D C3D C4D 118.8(6) . .
C2D C3D H3D 120.6 . .
C4D C3D H3D 120.6 . .
C5D C4D C3D 121.8(6) . .
C5D C4D H4D 119.1 . .
C3D C4D H4D 119.1 . .
C4D C5D C6D 120.0(7) . .
C4D C5D H5D 120.0 . .
C6D C5D H5D 120.0 . .
C1D C6D C5D 119.1(6) . .
C1D C6D C7D 120.5(5) . .
C5D C6D C7D 120.4(6) . .
O8D C7D O9D 121.6(6) . .
O8D C7D C6D 125.8(6) . .
O9D C7D C6D 112.5(5) . .
C7D O8D Li1 127.5(5) . .
C7D O9D C10D 117.1(5) . .
O9D C10D C15D 115.3(5) . .
O9D C10D C11D 108.2(5) . .
C15D C10D C11D 104.1(5) . .
O9D C10D H10D 109.7 . .
C15D C10D H10D 109.7 . .
C11D C10D H10D 109.7 . .
C19D C11D C16D 121.1(8) . .
C19D C11D C10D 113.6(6) . .
C16D C11D C10D 100.2(6) . .
C19D C11D C12D 113.8(7) . .
C16D C11D C12D 100.3(6) . .
C10D C11D C12D 105.7(6) . .
C13D C12D C11D 104.3(6) . .
C13D C12D H12G 110.9 . .
C11D C12D H12G 110.9 . .
C13D C12D H12H 110.9 . .
C11D C12D H12H 110.9 . .
H12G C12D H12H 108.9 . .
C14D C13D C12D 101.9(6) . .
C14D C13D H13G 111.4 . .
C12D C13D H13G 111.4 . .
C14D C13D H13H 111.4 . .
C12D C13D H13H 111.4 . .
H13G C13D H13H 109.3 . .
C13D C14D C16D 103.5(7) . .
C13D C14D C15D 106.3(7) . .
C16D C14D C15D 104.3(7) . .
C13D C14D H14D 113.9 . .
C16D C14D H14D 113.9 . .
C15D C14D H14D 113.9 . .
C14D C15D C10D 102.8(6) . .
C14D C15D H15G 111.2 . .
C10D C15D H15G 111.2 . .
C14D C15D H15H 111.2 . .
C10D C15D H15H 111.2 . .
H15G C15D H15H 109.1 . .
C14D C16D C11D 94.2(6) . .
C14D C16D C17D 110.3(9) . .
C11D C16D C17D 114.6(8) . .
C14D C16D C18D 114.7(8) . .
C11D C16D C18D 113.7(8) . .
C17D C16D C18D 108.9(7) . .
C16D C17D H17J 109.5 . .
C16D C17D H17K 109.5 . .
H17J C17D H17K 109.5 . .
C16D C17D H17L 109.5 . .
H17J C17D H17L 109.5 . .
H17K C17D H17L 109.5 . .
C16D C18D H18J 109.5 . .
C16D C18D H18K 109.5 . .
H18J C18D H18K 109.5 . .
C16D C18D H18L 109.5 . .
H18J C18D H18L 109.5 . .
H18K C18D H18L 109.5 . .
C11D C19D H19J 109.5 . .
C11D C19D H19K 109.5 . .
H19J C19D H19K 109.5 . .
C11D C19D H19L 109.5 . .
H19J C19D H19L 109.5 . .
H19K C19D H19L 109.5 . .
C1E O1E Li2 122.0(4) . .
C1E O1E Ti2 114.2(3) . .
Li2 O1E Ti2 121.1(3) . .
C2E O2E Ti2 118.0(4) . .
O1E C1E C6E 127.8(5) . .
O1E C1E C2E 113.5(5) . .
C6E C1E C2E 118.7(5) . .
C3E C2E O2E 125.6(6) . .
C3E C2E C1E 120.6(6) . .
O2E C2E C1E 113.8(5) . .
C2E C3E C4E 120.6(6) . .
C2E C3E H3E 119.7 . .
C4E C3E H3E 119.7 . .
C5E C4E C3E 120.3(7) . .
C5E C4E H4E 119.9 . .
C3E C4E H4E 119.9 . .
C4E C5E C6E 121.1(7) . .
C4E C5E H5E 119.4 . .
C6E C5E H5E 119.4 . .
C1E C6E C5E 118.7(6) . .
C1E C6E C7E 120.0(5) . .
C5E C6E C7E 121.3(6) . .
O8E C7E O9E 122.1(5) . .
O8E C7E C6E 125.9(5) . .
O9E C7E C6E 112.0(5) . .
C7E O8E Li2 127.9(5) . .
C7E O9E C10E 114.8(4) . .
O9E C10E C15E 114.5(5) . .
O9E C10E C11E 108.8(5) . .
C15E C10E C11E 103.4(5) . .
O9E C10E H10E 110.0 . .
C15E C10E H10E 110.0 . .
C11E C10E H10E 110.0 . .
C10E C11E C19E 115.1(6) . .
C10E C11E C12E 107.7(6) . .
C19E C11E C12E 114.3(6) . .
C10E C11E C16E 99.9(5) . .
C19E C11E C16E 116.9(6) . .
C12E C11E C16E 101.0(6) . .
C11E C12E C13E 104.0(6) . .
C11E C12E H12I 111.0 . .
C13E C12E H12I 111.0 . .
C11E C12E H12J 111.0 . .
C13E C12E H12J 111.0 . .
H12I C12E H12J 109.0 . .
C14E C13E C12E 102.4(6) . .
C14E C13E H13I 111.3 . .
C12E C13E H13I 111.3 . .
C14E C13E H13J 111.3 . .
C12E C13E H13J 111.3 . .
H13I C13E H13J 109.2 . .
C13E C14E C15E 105.5(6) . .
C13E C14E C16E 104.7(7) . .
C15E C14E C16E 102.9(6) . .
C13E C14E H14E 114.2 . .
C15E C14E H14E 114.2 . .
C16E C14E H14E 114.2 . .
C10E C15E C14E 104.1(5) . .
C10E C15E H15I 110.9 . .
C14E C15E H15I 110.9 . .
C10E C15E H15J 110.9 . .
C14E C15E H15J 110.9 . .
H15I C15E H15J 109.0 . .
C14E C16E C18E 114.2(7) . .
C14E C16E C17E 114.4(8) . .
C18E C16E C17E 107.7(7) . .
C14E C16E C11E 92.7(5) . .
C18E C16E C11E 113.5(8) . .
C17E C16E C11E 114.0(7) . .
C16E C17E H17M 109.5 . .
C16E C17E H17N 109.5 . .
H17M C17E H17N 109.5 . .
C16E C17E H17O 109.5 . .
H17M C17E H17O 109.5 . .
H17N C17E H17O 109.5 . .
C16E C18E H18M 109.5 . .
C16E C18E H18N 109.5 . .
H18M C18E H18N 109.5 . .
C16E C18E H18O 109.5 . .
H18M C18E H18O 109.5 . .
H18N C18E H18O 109.5 . .
C11E C19E H19M 109.5 . .
C11E C19E H19N 109.5 . .
H19M C19E H19N 109.5 . .
C11E C19E H19O 109.5 . .
H19M C19E H19O 109.5 . .
H19N C19E H19O 109.5 . .
C1F O1F Li3 124.4(4) . .
C1F O1F Ti2 113.8(3) . .
Li3 O1F Ti2 119.9(3) . .
C2F O2F Ti2 117.7(4) . .
O1F C1F C6F 126.5(5) . .
O1F C1F C2F 115.4(5) . .
C6F C1F C2F 118.1(6) . .
C3F C2F O2F 124.3(6) . .
C3F C2F C1F 122.7(6) . .
O2F C2F C1F 113.0(5) . .
C2F C3F C4F 118.7(7) . .
C2F C3F H3F 120.6 . .
C4F C3F H3F 120.6 . .
C5F C4F C3F 120.5(7) . .
C5F C4F H4F 119.8 . .
C3F C4F H4F 119.8 . .
C4F C5F C6F 121.3(7) . .
C4F C5F H5F 119.4 . .
C6F C5F H5F 119.4 . .
C1F C6F C5F 118.7(6) . .
C1F C6F C7F 121.2(6) . .
C5F C6F C7F 120.1(6) . .
O8F C7F O9F 122.0(6) . .
O8F C7F C6F 125.5(6) . .
O9F C7F C6F 112.4(5) . .
C7F O8F Li3 127.8(5) . .
C7F O9F C10F 116.9(5) . .
O9F C10F C11F 108.0(6) . .
O9F C10F C15F 114.7(6) . .
C11F C10F C15F 105.0(6) . .
O9F C10F H10F 109.6 . .
C11F C10F H10F 109.6 . .
C15F C10F H10F 109.6 . .
C19F C11F C10F 112.6(7) . .
C19F C11F C12F 115.5(8) . .
C10F C11F C12F 106.8(6) . .
C19F C11F C16F 120.6(8) . .
C10F C11F C16F 99.6(6) . .
C12F C11F C16F 99.6(7) . .
C11F C12F C13F 104.0(6) . .
C11F C12F H12K 111.0 . .
C13F C12F H12K 111.0 . .
C11F C12F H12L 111.0 . .
C13F C12F H12L 111.0 . .
H12K C12F H12L 109.0 . .
C14F C13F C12F 100.9(7) . .
C14F C13F H13K 111.6 . .
C12F C13F H13K 111.6 . .
C14F C13F H13L 111.6 . .
C12F C13F H13L 111.6 . .
H13K C13F H13L 109.4 . .
C16F C14F C13F 105.9(9) . .
C16F C14F C15F 104.4(6) . .
C13F C14F C15F 105.7(7) . .
C16F C14F H14F 113.3 . .
C13F C14F H14F 113.3 . .
C15F C14F H14F 113.3 . .
C10F C15F C14F 101.3(6) . .
C10F C15F H15K 111.5 . .
C14F C15F H15K 111.5 . .
C10F C15F H15L 111.5 . .
C14F C15F H15L 111.5 . .
H15K C15F H15L 109.3 . .
C14F C16F C17F 114.1(8) . .
C14F C16F C18F 114.6(8) . .
C17F C16F C18F 107.6(8) . .
C14F C16F C11F 94.5(6) . .
C17F C16F C11F 113.4(8) . .
C18F C16F C11F 112.5(8) . .
C16F C17F H17P 109.5 . .
C16F C17F H17Q 109.5 . .
H17P C17F H17Q 109.5 . .
C16F C17F H17R 109.5 . .
H17P C17F H17R 109.5 . .
H17Q C17F H17R 109.5 . .
C16F C18F H18P 109.5 . .
C16F C18F H18Q 109.5 . .
H18P C18F H18Q 109.5 . .
C16F C18F H18R 109.5 . .
H18P C18F H18R 109.5 . .
H18Q C18F H18R 109.5 . .
C11F C19F H19P 109.5 . .
C11F C19F H19Q 109.5 . .
H19P C19F H19Q 109.5 . .
C11F C19F H19R 109.5 . .
H19P C19F H19R 109.5 . .
H19Q C19F H19R 109.5 . .
O8G Li5 O8H 108.5(6) . .
O8G Li5 O1G 94.4(5) . .
O8H Li5 O1G 107.9(5) . .
O8G Li5 O1H 109.3(5) . .
O8H Li5 O1H 91.6(5) . .
O1G Li5 O1H 142.8(6) . .
O8G Li5 Li5 98.9(6) . 2_665
O8H Li5 Li5 151.2(5) . 2_665
O1G Li5 Li5 60.4(4) . 2_665
O1H Li5 Li5 87.3(3) . 2_665
O8G Li5 Li5 154.4(5) . 3_565
O8H Li5 Li5 95.1(6) . 3_565
O1G Li5 Li5 87.4(3) . 3_565
O1H Li5 Li5 59.0(4) . 3_565
Li5 Li5 Li5 60.000(2) 2_665 3_565
O8G Li5 Ti3 124.3(4) . .
O8H Li5 Ti3 95.7(4) . .
O1G Li5 Ti3 30.0(2) . .
O1H Li5 Ti3 119.5(5) . .
Li5 Li5 Ti3 60.58(14) 2_665 .
Li5 Li5 Ti3 60.58(14) 3_565 .
O8G Li5 Ti4 97.2(4) . .
O8H Li5 Ti4 122.0(4) . .
O1G Li5 Ti4 121.1(4) . .
O1H Li5 Ti4 30.4(2) . .
Li5 Li5 Ti4 60.81(15) 2_665 .
Li5 Li5 Ti4 60.81(15) 3_565 .
Ti3 Li5 Ti4 111.2(3) . .
O111 Li6 O111 109.4(8) 3_565 .
O111 Li6 O111 109.4(8) 3_565 2_665
O111 Li6 O111 109.4(8) . 2_665
O2G Ti3 O2G 92.41(18) 3_565 2_665
O2G Ti3 O2G 92.41(18) 3_565 .
O2G Ti3 O2G 92.41(18) 2_665 .
O2G Ti3 O1G 79.06(16) 3_565 3_565
O2G Ti3 O1G 104.54(17) 2_665 3_565
O2G Ti3 O1G 161.22(16) . 3_565
O2G Ti3 O1G 104.54(17) 3_565 .
O2G Ti3 O1G 161.22(16) 2_665 .
O2G Ti3 O1G 79.06(16) . .
O1G Ti3 O1G 86.86(17) 3_565 .
O2G Ti3 O1G 161.22(17) 3_565 2_665
O2G Ti3 O1G 79.06(16) 2_665 2_665
O2G Ti3 O1G 104.54(16) . 2_665
O1G Ti3 O1G 86.86(17) 3_565 2_665
O1G Ti3 O1G 86.86(16) . 2_665
O2G Ti3 Li5 98.8(2) 3_565 .
O2G Ti3 Li5 157.1(2) 2_665 .
O2G Ti3 Li5 106.9(2) . .
O1G Ti3 Li5 58.7(2) 3_565 .
O1G Ti3 Li5 28.2(2) . .
O1G Ti3 Li5 84.2(2) 2_665 .
O2G Ti3 Li5 106.9(2) 3_565 3_565
O2G Ti3 Li5 98.8(2) 2_665 3_565
O2G Ti3 Li5 157.1(2) . 3_565
O1G Ti3 Li5 28.2(2) 3_565 3_565
O1G Ti3 Li5 84.2(2) . 3_565
O1G Ti3 Li5 58.7(2) 2_665 3_565
Li5 Ti3 Li5 58.8(3) . 3_565
O2G Ti3 Li5 157.1(2) 3_565 2_665
O2G Ti3 Li5 106.9(2) 2_665 2_665
O2G Ti3 Li5 98.8(2) . 2_665
O1G Ti3 Li5 84.2(2) 3_565 2_665
O1G Ti3 Li5 58.7(2) . 2_665
O1G Ti3 Li5 28.2(2) 2_665 2_665
Li5 Ti3 Li5 58.8(3) . 2_665
Li5 Ti3 Li5 58.8(3) 3_565 2_665
O2H Ti4 O2H 93.11(18) . 2_665
O2H Ti4 O2H 93.11(18) . 3_565
O2H Ti4 O2H 93.11(18) 2_665 3_565
O2H Ti4 O1H 79.04(17) . .
O2H Ti4 O1H 104.09(17) 2_665 .
O2H Ti4 O1H 161.37(18) 3_565 .
O2H Ti4 O1H 104.09(17) . 3_565
O2H Ti4 O1H 161.37(17) 2_665 3_565
O2H Ti4 O1H 79.04(17) 3_565 3_565
O1H Ti4 O1H 86.46(17) . 3_565
O2H Ti4 O1H 161.37(17) . 2_665
O2H Ti4 O1H 79.04(17) 2_665 2_665
O2H Ti4 O1H 104.09(17) 3_565 2_665
O1H Ti4 O1H 86.46(17) . 2_665
O1H Ti4 O1H 86.46(16) 3_565 2_665
O2H Ti4 Li5 97.4(2) . 3_565
O2H Ti4 Li5 155.6(2) 2_665 3_565
O2H Ti4 Li5 108.2(2) 3_565 3_565
O1H Ti4 Li5 56.9(2) . 3_565
O1H Ti4 Li5 29.6(2) 3_565 3_565
O1H Ti4 Li5 84.2(2) 2_665 3_565
O2H Ti4 Li5 108.2(2) . .
O2H Ti4 Li5 97.4(2) 2_665 .
O2H Ti4 Li5 155.6(2) 3_565 .
O1H Ti4 Li5 29.6(2) . .
O1H Ti4 Li5 84.2(2) 3_565 .
O1H Ti4 Li5 56.9(2) 2_665 .
Li5 Ti4 Li5 58.4(3) 3_565 .
O2H Ti4 Li5 155.6(2) . 2_665
O2H Ti4 Li5 108.2(2) 2_665 2_665
O2H Ti4 Li5 97.4(2) 3_565 2_665
O1H Ti4 Li5 84.2(2) . 2_665
O1H Ti4 Li5 56.9(2) 3_565 2_665
O1H Ti4 Li5 29.6(2) 2_665 2_665
Li5 Ti4 Li5 58.4(3) 3_565 2_665
Li5 Ti4 Li5 58.4(3) . 2_665
C1G O1G Li5 121.0(5) . .
C1G O1G Ti3 115.0(3) . .
Li5 O1G Ti3 121.8(4) . .
C2G O2G Ti3 118.0(3) . .
O1G C1G C6G 127.6(5) . .
O1G C1G C2G 113.7(5) . .
C6G C1G C2G 118.7(5) . .
C3G C2G O2G 124.9(5) . .
C3G C2G C1G 121.6(6) . .
O2G C2G C1G 113.4(5) . .
C2G C3G C4G 119.3(6) . .
C2G C3G H3G 120.3 . .
C4G C3G H3G 120.3 . .
C5G C4G C3G 121.1(6) . .
C5G C4G H4G 119.4 . .
C3G C4G H4G 119.4 . .
C4G C5G C6G 120.4(6) . .
C4G C5G H5G 119.8 . .
C6G C5G H5G 119.8 . .
C1G C6G C5G 118.8(5) . .
C1G C6G C7G 121.6(5) . .
C5G C6G C7G 119.6(5) . .
O8G C7G O9G 122.4(6) . .
O8G C7G C6G 124.0(6) . .
O9G C7G C6G 113.6(5) . .
C7G O8G Li5 127.6(5) . .
C7G O9G C10G 116.0(5) . .
O9G C10G C15G 113.9(5) . .
O9G C10G C11G 106.3(6) . .
C15G C10G C11G 103.4(6) . .
O9G C10G H10G 111.0 . .
C15G C10G H10G 111.0 . .
C11G C10G H10G 111.0 . .
C12G C11G C19G 115.0(8) . .
C12G C11G C16G 101.0(7) . .
C19G C11G C16G 119.9(8) . .
C12G C11G C10G 108.2(6) . .
C19G C11G C10G 111.4(7) . .
C16G C11G C10G 99.6(7) . .
C13G C12G C11G 105.4(7) . .
C13G C12G H12M 110.7 . .
C11G C12G H12M 110.7 . .
C13G C12G H12N 110.7 . .
C11G C12G H12N 110.7 . .
H12M C12G H12N 108.8 . .
C12G C13G C14G 103.3(7) . .
C12G C13G H13M 111.1 . .
C14G C13G H13M 111.1 . .
C12G C13G H13N 111.1 . .
C14G C13G H13N 111.1 . .
H13M C13G H13N 109.1 . .
C16G C14G C13G 101.6(9) . .
C16G C14G C15G 104.1(7) . .
C13G C14G C15G 105.8(7) . .
C16G C14G H14G 114.6 . .
C13G C14G H14G 114.6 . .
C15G C14G H14G 114.6 . .
C10G C15G C14G 102.3(7) . .
C10G C15G H15M 111.3 . .
C14G C15G H15M 111.3 . .
C10G C15G H15N 111.3 . .
C14G C15G H15N 111.3 . .
H15M C15G H15N 109.2 . .
C14G C16G C18G 115.7(9) . .
C14G C16G C17G 113.3(10) . .
C18G C16G C17G 109.4(8) . .
C14G C16G C11G 93.8(6) . .
C18G C16G C11G 111.0(10) . .
C17G C16G C11G 113.1(8) . .
C16G C17G H17S 109.5 . .
C16G C17G H17T 109.5 . .
H17S C17G H17T 109.5 . .
C16G C17G H17U 109.5 . .
H17S C17G H17U 109.5 . .
H17T C17G H17U 109.5 . .
C16G C18G H18S 109.5 . .
C16G C18G H18T 109.5 . .
H18S C18G H18T 109.5 . .
C16G C18G H18U 109.5 . .
H18S C18G H18U 109.5 . .
H18T C18G H18U 109.5 . .
C11G C19G H19S 109.5 . .
C11G C19G H19T 109.5 . .
H19S C19G H19T 109.5 . .
C11G C19G H19U 109.5 . .
H19S C19G H19U 109.5 . .
H19T C19G H19U 109.5 . .
C1H O1H Li5 123.1(5) . .
C1H O1H Ti4 114.5(3) . .
Li5 O1H Ti4 120.0(4) . .
C2H O2H Ti4 117.2(4) . .
O1H C1H C6H 126.1(5) . .
O1H C1H C2H 113.6(5) . .
C6H C1H C2H 120.2(5) . .
O2H C2H C3H 124.1(6) . .
O2H C2H C1H 114.8(5) . .
C3H C2H C1H 121.0(6) . .
C4H C3H C2H 118.9(6) . .
C4H C3H H3H 120.5 . .
C2H C3H H3H 120.5 . .
C3H C4H C5H 121.3(6) . .
C3H C4H H4H 119.4 . .
C5H C4H H4H 119.4 . .
C4H C5H C6H 120.0(7) . .
C4H C5H H5H 120.0 . .
C6H C5H H5H 120.0 . .
C1H C6H C5H 118.5(6) . .
C1H C6H C7H 121.8(5) . .
C5H C6H C7H 119.7(6) . .
O8H C7H O9H 121.1(6) . .
O8H C7H C6H 124.8(6) . .
O9H C7H C6H 114.0(5) . .
C7H O8H Li5 128.2(5) . .
C7H O9H C10H 116.2(5) . .
O9H C10H C11H 108.8(5) . .
O9H C10H C15H 115.1(6) . .
C11H C10H C15H 104.0(6) . .
O9H C10H H10H 109.6 . .
C11H C10H H10H 109.6 . .
C15H C10H H10H 109.6 . .
C10H C11H C19H 113.6(7) . .
C10H C11H C12H 108.3(7) . .
C19H C11H C12H 112.9(8) . .
C10H C11H C16H 100.7(6) . .
C19H C11H C16H 117.2(7) . .
C12H C11H C16H 102.8(7) . .
C13H C12H C11H 102.5(8) . .
C13H C12H H12O 111.3 . .
C11H C12H H12O 111.3 . .
C13H C12H H12P 111.3 . .
C11H C12H H12P 111.3 . .
H12O C12H H12P 109.2 . .
C12H C13H C14H 103.7(9) . .
C12H C13H H13O 111.0 . .
C14H C13H H13O 111.0 . .
C12H C13H H13P 111.0 . .
C14H C13H H13P 111.0 . .
H13O C13H H13P 109.0 . .
C15H C14H C16H 103.2(7) . .
C15H C14H C13H 105.3(8) . .
C16H C14H C13H 101.0(10) . .
C15H C14H H14H 115.2 . .
C16H C14H H14H 115.2 . .
C13H C14H H14H 115.2 . .
C14H C15H C10H 103.4(7) . .
C14H C15H H15O 111.1 . .
C10H C15H H15O 111.1 . .
C14H C15H H15P 111.1 . .
C10H C15H H15P 111.1 . .
H15O C15H H15P 109.0 . .
C17H C16H C14H 114.0(8) . .
C17H C16H C18H 105.7(8) . .
C14H C16H C18H 115.1(9) . .
C17H C16H C11H 115.7(7) . .
C14H C16H C11H 93.0(7) . .
C18H C16H C11H 113.4(8) . .
C16H C17H H17V 109.5 . .
C16H C17H H17W 109.5 . .
H17V C17H H17W 109.5 . .
C16H C17H H17$ 109.5 . .
H17V C17H H17$ 109.5 . .
H17W C17H H17$ 109.5 . .
C16H C18H H18V 109.5 . .
C16H C18H H18W 109.5 . .
H18V C18H H18W 109.5 . .
C16H C18H H18$ 109.5 . .
H18V C18H H18$ 109.5 . .
H18W C18H H18$ 109.5 . .
C11H C19H H19V 109.5 . .
C11H C19H H19W 109.5 . .
H19V C19H H19W 109.5 . .
C11H C19H H19$ 109.5 . .
H19V C19H H19$ 109.5 . .
H19W C19H H19$ 109.5 . .
O101 C102 N103 116.8(19) . .
O101 C102 H102 121.6 . .
N103 C102 H102 121.6 . .
C102 N103 C105 124.6(12) . .
C102 N103 C104 114.6(12) . .
C105 N103 C104 120.4(9) . .
N103 C104 H10I 109.5 . .
N103 C104 H10J 109.5 . .
H10I C104 H10J 109.5 . .
N103 C104 H10K 109.5 . .
H10I C104 H10K 109.5 . .
H10J C104 H10K 109.5 . .
N103 C105 H10L 109.5 . .
N103 C105 H10M 109.5 . .
H10L C105 H10M 109.5 . .
N103 C105 H10N 109.5 . .
H10L C105 H10N 109.5 . .
H10M C105 H10N 109.5 . .
C112 O111 Li6 127.8(9) . .
O111 C112 N113 127.4(8) . .
O111 C112 H112 116.3 . .
N113 C112 H112 116.3 . .
C112 N113 C115 120.6(8) . .
C112 N113 C114 119.7(7) . .
C115 N113 C114 119.6(9) . .
N113 C114 H11A 109.5 . .
N113 C114 H11B 109.5 . .
H11A C114 H11B 109.5 . .
N113 C114 H11C 109.5 . .
H11A C114 H11C 109.5 . .
H11B C114 H11C 109.5 . .
N113 C115 H11D 109.5 . .
N113 C115 H11E 109.5 . .
H11D C115 H11E 109.5 . .
N113 C115 H11F 109.5 . .
H11D C115 H11F 109.5 . .
H11E C115 H11F 109.5 . .
O121 C122 N123 119.4(16) . .
O121 C122 H122 120.3 . .
N123 C122 H122 120.3 . .
C122 N123 C125 119.7(12) . .
C122 N123 C124 118.0(13) . .
C125 N123 C124 121.0(13) . .
N123 C124 H12Q 109.5 . .
N123 C124 H12R 109.5 . .
H12Q C124 H12R 109.5 . .
N123 C124 H12S 109.5 . .
H12Q C124 H12S 109.5 . .
H12R C124 H12S 109.5 . .
N123 C125 H12T 109.5 . .
N123 C125 H12U 109.5 . .
H12T C125 H12U 109.5 . .
N123 C125 H12V 109.5 . .
H12T C125 H12V 109.5 . .
H12U C125 H12V 109.5 . .
O131 C132 N133 121.2(18) . .
O131 C132 H132 119.4 . .
N133 C132 H132 119.4 . .
C132 N133 C135 120.5(13) . .
C132 N133 C134 117.1(13) . .
C135 N133 C134 122.4(14) . .
N133 C134 H13Q 109.5 . .
N133 C134 H13R 109.5 . .
H13Q C134 H13R 109.5 . .
N133 C134 H13S 109.5 . .
H13Q C134 H13S 109.5 . .
H13R C134 H13S 109.5 . .
N133 C135 H13T 109.5 . .
N133 C135 H13U 109.5 . .
H13T C135 H13U 109.5 . .
N133 C135 H13V 109.5 . .
H13T C135 H13V 109.5 . .
H13U C135 H13V 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Li1 O8D 1.892(12) .
Li1 O8A 1.910(12) .
Li1 O1D 1.921(10) .
Li1 O1A 1.962(10) .
Li1 Li3 3.320(14) .
Li1 Li2 3.439(14) .
Li1 Ti2 3.450(10) .
Li1 Ti1 3.450(10) .
Li2 O8E 1.898(11) .
Li2 O8B 1.930(10) .
Li2 O1E 1.944(9) .
Li2 O1B 1.954(9) .
Li2 Li3 3.351(14) .
Li2 Ti1 3.439(9) .
Li2 Ti2 3.464(9) .
Li3 O1C 1.924(11) .
Li3 O8C 1.941(11) .
Li3 O8F 1.945(11) .
Li3 O1F 1.956(10) .
Li3 Ti1 3.440(10) .
Li3 Ti2 3.450(10) .
Ti1 O2A 1.897(4) .
Ti1 O2C 1.902(4) .
Ti1 O2B 1.916(4) .
Ti1 O1A 2.012(4) .
Ti1 O1B 2.019(4) .
Ti1 O1C 2.031(4) .
Ti2 O2F 1.903(4) .
Ti2 O2D 1.906(4) .
Ti2 O2E 1.910(4) .
Ti2 O1D 2.010(4) .
Ti2 O1F 2.029(4) .
Ti2 O1E 2.033(4) .
O1A C1A 1.333(6) .
O2A C2A 1.344(7) .
C1A C6A 1.404(8) .
C1A C2A 1.428(8) .
C2A C3A 1.358(8) .
C3A C4A 1.383(10) .
C3A H3A 0.9400 .
C4A C5A 1.321(9) .
C4A H4A 0.9400 .
C5A C6A 1.405(8) .
C5A H5A 0.9400 .
C6A C7A 1.480(8) .
C7A O8A 1.212(7) .
C7A O9A 1.330(7) .
O9A C10A 1.435(8) .
C10A C11A 1.520(10) .
C10A C15A 1.532(12) .
C10A H10A 0.9900 .
C11A C19A 1.496(15) .
C11A C12A 1.556(15) .
C11A C16A 1.594(15) .
C12A C13A 1.589(17) .
C12A H12A 0.9800 .
C12A H12B 0.9800 .
C13A C14A 1.523(17) .
C13A H13A 0.9800 .
C13A H13B 0.9800 .
C14A C16A 1.464(18) .
C14A C15A 1.542(13) .
C14A H14A 0.9900 .
C15A H15A 0.9800 .
C15A H15B 0.9800 .
C16A C17A 1.548(18) .
C16A C18A 1.593(15) .
C17A H17A 0.9700 .
C17A H17B 0.9700 .
C17A H17C 0.9700 .
C18A H18A 0.9700 .
C18A H18B 0.9700 .
C18A H18C 0.9700 .
C19A H19A 0.9700 .
C19A H19B 0.9700 .
C19A H19C 0.9700 .
O1B C1B 1.336(6) .
O2B C2B 1.333(7) .
C1B C6B 1.385(8) .
C1B C2B 1.412(7) .
C2B C3B 1.373(8) .
C3B C4B 1.386(9) .
C3B H3B 0.9400 .
C4B C5B 1.367(9) .
C4B H4B 0.9400 .
C5B C6B 1.413(8) .
C5B H5B 0.9400 .
C6B C7B 1.477(8) .
C7B O8B 1.203(6) .
C7B O9B 1.326(7) .
O9B C10B 1.454(7) .
C10B C11B 1.535(9) .
C10B C15B 1.544(10) .
C10B H10B 0.9900 .
C11B C19B 1.472(12) .
C11B C16B 1.530(11) .
C11B C12B 1.556(12) .
C12B C13B 1.518(18) .
C12B H12C 0.9800 .
C12B H12D 0.9800 .
C13B C14B 1.482(18) .
C13B H13C 0.9800 .
C13B H13D 0.9800 .
C14B C16B 1.532(15) .
C14B C15B 1.538(14) .
C14B H14B 0.9900 .
C15B H15C 0.9800 .
C15B H15D 0.9800 .
C16B C17B 1.530(13) .
C16B C18B 1.573(12) .
C17B H17D 0.9700 .
C17B H17E 0.9700 .
C17B H17F 0.9700 .
C18B H18D 0.9700 .
C18B H18E 0.9700 .
C18B H18F 0.9700 .
C19B H19D 0.9700 .
C19B H19E 0.9700 .
C19B H19F 0.9700 .
O1C C1C 1.341(6) .
O2C C2C 1.344(7) .
C1C C6C 1.407(8) .
C1C C2C 1.413(8) .
C2C C3C 1.377(8) .
C3C C4C 1.358(9) .
C3C H3C 0.9400 .
C4C C5C 1.383(10) .
C4C H4C 0.9400 .
C5C C6C 1.419(8) .
C5C H5C 0.9400 .
C6C C7C 1.470(9) .
C7C O8C 1.214(7) .
C7C O9C 1.337(7) .
O9C C10C 1.447(8) .
C10C C11C 1.541(10) .
C10C C15C 1.547(10) .
C10C H10C 0.9900 .
C11C C19C 1.489(12) .
C11C C16C 1.532(12) .
C11C C12C 1.580(13) .
C12C C13C 1.583(15) .
C12C H12E 0.9800 .
C12C H12F 0.9800 .
C13C C14C 1.532(14) .
C13C H13E 0.9800 .
C13C H13F 0.9800 .
C14C C15C 1.506(12) .
C14C C16C 1.580(15) .
C14C H14C 0.9900 .
C15C H15E 0.9800 .
C15C H15F 0.9800 .
C16C C17C 1.516(13) .
C16C C18C 1.570(12) .
C17C H17G 0.9700 .
C17C H17H 0.9700 .
C17C H17I 0.9700 .
C18C H18G 0.9700 .
C18C H18H 0.9700 .
C18C H18I 0.9700 .
C19C H19G 0.9700 .
C19C H19H 0.9700 .
C19C H19I 0.9700 .
O1D C1D 1.349(7) .
O2D C2D 1.345(7) .
C1D C6D 1.385(9) .
C1D C2D 1.436(8) .
C2D C3D 1.342(9) .
C3D C4D 1.381(10) .
C3D H3D 0.9400 .
C4D C5D 1.371(10) .
C4D H4D 0.9400 .
C5D C6D 1.406(8) .
C5D H5D 0.9400 .
C6D C7D 1.480(9) .
C7D O8D 1.202(7) .
C7D O9D 1.344(7) .
O9D C10D 1.429(7) .
C10D C15D 1.522(9) .
C10D C11D 1.548(9) .
C10D H10D 0.9900 .
C11D C19D 1.473(11) .
C11D C16D 1.543(12) .
C11D C12D 1.555(10) .
C12D C13D 1.544(11) .
C12D H12G 0.9800 .
C12D H12H 0.9800 .
C13D C14D 1.505(11) .
C13D H13G 0.9800 .
C13D H13H 0.9800 .
C14D C16D 1.514(12) .
C14D C15D 1.521(11) .
C14D H14D 0.9900 .
C15D H15G 0.9800 .
C15D H15H 0.9800 .
C16D C17D 1.562(13) .
C16D C18D 1.570(11) .
C17D H17J 0.9700 .
C17D H17K 0.9700 .
C17D H17L 0.9700 .
C18D H18J 0.9700 .
C18D H18K 0.9700 .
C18D H18L 0.9700 .
C19D H19J 0.9700 .
C19D H19K 0.9700 .
C19D H19L 0.9700 .
O1E C1E 1.331(7) .
O2E C2E 1.336(8) .
C1E C6E 1.395(8) .
C1E C2E 1.443(8) .
C2E C3E 1.331(9) .
C3E C4E 1.396(10) .
C3E H3E 0.9400 .
C4E C5E 1.364(10) .
C4E H4E 0.9400 .
C5E C6E 1.399(9) .
C5E H5E 0.9400 .
C6E C7E 1.466(8) .
C7E O8E 1.214(6) .
C7E O9E 1.341(7) .
O9E C10E 1.460(7) .
C10E C15E 1.515(9) .
C10E C11E 1.521(9) .
C10E H10E 0.9900 .
C11E C19E 1.535(10) .
C11E C12E 1.545(10) .
C11E C16E 1.574(10) .
C12E C13E 1.548(10) .
C12E H12I 0.9800 .
C12E H12J 0.9800 .
C13E C14E 1.498(11) .
C13E H13I 0.9800 .
C13E H13J 0.9800 .
C14E C15E 1.517(9) .
C14E C16E 1.526(11) .
C14E H14E 0.9900 .
C15E H15I 0.9800 .
C15E H15J 0.9800 .
C16E C18E 1.534(11) .
C16E C17E 1.533(12) .
C17E H17M 0.9700 .
C17E H17N 0.9700 .
C17E H17O 0.9700 .
C18E H18M 0.9700 .
C18E H18N 0.9700 .
C18E H18O 0.9700 .
C19E H19M 0.9700 .
C19E H19N 0.9700 .
C19E H19O 0.9700 .
O1F C1F 1.325(7) .
O2F C2F 1.369(8) .
C1F C6F 1.388(8) .
C1F C2F 1.403(8) .
C2F C3F 1.354(9) .
C3F C4F 1.376(10) .
C3F H3F 0.9400 .
C4F C5F 1.365(10) .
C4F H4F 0.9400 .
C5F C6F 1.397(9) .
C5F H5F 0.9400 .
C6F C7F 1.481(9) .
C7F O8F 1.205(7) .
C7F O9F 1.326(7) .
O9F C10F 1.449(8) .
C10F C11F 1.525(9) .
C10F C15F 1.530(10) .
C10F H10F 0.9900 .
C11F C19F 1.515(12) .
C11F C12F 1.547(11) .
C11F C16F 1.562(11) .
C12F C13F 1.576(13) .
C12F H12K 0.9800 .
C12F H12L 0.9800 .
C13F C14F 1.482(12) .
C13F H13K 0.9800 .
C13F H13L 0.9800 .
C14F C16F 1.475(13) .
C14F C15F 1.546(11) .
C14F H14F 0.9900 .
C15F H15K 0.9800 .
C15F H15L 0.9800 .
C16F C17F 1.518(12) .
C16F C18F 1.538(11) .
C17F H17P 0.9700 .
C17F H17Q 0.9700 .
C17F H17R 0.9700 .
C18F H18P 0.9700 .
C18F H18Q 0.9700 .
C18F H18R 0.9700 .
C19F H19P 0.9700 .
C19F H19Q 0.9700 .
C19F H19R 0.9700 .
Li5 O8G 1.899(12) .
Li5 O8H 1.901(11) .
Li5 O1G 1.911(11) .
Li5 O1H 1.972(11) .
Li5 Li5 3.373(19) 2_665
Li5 Li5 3.373(19) 3_565
Li5 Ti3 3.433(11) .
Li5 Ti4 3.458(10) .
Li6 O111 1.904(11) 3_565
Li6 O111 1.904(11) .
Li6 O111 1.904(11) 2_665
Ti3 O2G 1.912(4) 3_565
Ti3 O2G 1.912(4) 2_665
Ti3 O2G 1.912(4) .
Ti3 O1G 2.018(4) 3_565
Ti3 O1G 2.018(4) .
Ti3 O1G 2.018(4) 2_665
Ti3 Li5 3.433(11) 3_565
Ti3 Li5 3.433(11) 2_665
Ti4 O2H 1.902(4) .
Ti4 O2H 1.902(4) 2_665
Ti4 O2H 1.902(4) 3_565
Ti4 O1H 2.022(4) .
Ti4 O1H 2.022(4) 3_565
Ti4 O1H 2.022(4) 2_665
Ti4 Li5 3.458(11) 3_565
Ti4 Li5 3.458(10) 2_665
O1G C1G 1.335(7) .
O2G C2G 1.354(7) .
C1G C6G 1.384(8) .
C1G C2G 1.429(8) .
C2G C3G 1.347(8) .
C3G C4G 1.382(9) .
C3G H3G 0.9400 .
C4G C5G 1.372(9) .
C4G H4G 0.9400 .
C5G C6G 1.415(9) .
C5G H5G 0.9400 .
C6G C7G 1.477(8) .
C7G O8G 1.204(7) .
C7G O9G 1.323(7) .
O9G C10G 1.440(7) .
C10G C15G 1.552(10) .
C10G C11G 1.585(10) .
C10G H10G 0.9900 .
C11G C12G 1.505(11) .
C11G C19G 1.539(12) .
C11G C16G 1.572(12) .
C12G C13G 1.504(12) .
C12G H12M 0.9800 .
C12G H12N 0.9800 .
C13G C14G 1.538(12) .
C13G H13M 0.9800 .
C13G H13N 0.9800 .
C14G C16G 1.521(13) .
C14G C15G 1.565(12) .
C14G H14G 0.9900 .
C15G H15M 0.9800 .
C15G H15N 0.9800 .
C16G C18G 1.530(15) .
C16G C17G 1.570(14) .
C17G H17S 0.9700 .
C17G H17T 0.9700 .
C17G H17U 0.9700 .
C18G H18S 0.9700 .
C18G H18T 0.9700 .
C18G H18U 0.9700 .
C19G H19S 0.9700 .
C19G H19T 0.9700 .
C19G H19U 0.9700 .
O1H C1H 1.315(7) .
O2H C2H 1.338(8) .
C1H C6H 1.401(8) .
C1H C2H 1.410(8) .
C2H C3H 1.389(9) .
C3H C4H 1.379(10) .
C3H H3H 0.9400 .
C4H C5H 1.409(10) .
C4H H4H 0.9400 .
C5H C6H 1.411(9) .
C5H H5H 0.9400 .
C6H C7H 1.451(9) .
C7H O8H 1.228(7) .
C7H O9H 1.338(7) .
O9H C10H 1.448(7) .
C10H C11H 1.492(9) .
C10H C15H 1.533(10) .
C10H H10H 0.9900 .
C11H C19H 1.518(13) .
C11H C12H 1.562(12) .
C11H C16H 1.572(11) .
C12H C13H 1.544(17) .
C12H H12O 0.9800 .
C12H H12P 0.9800 .
C13H C14H 1.571(14) .
C13H H13O 0.9800 .
C13H H13P 0.9800 .
C14H C15H 1.526(12) .
C14H C16H 1.538(13) .
C14H H14H 0.9900 .
C15H H15O 0.9800 .
C15H H15P 0.9800 .
C16H C17H 1.505(12) .
C16H C18H 1.559(12) .
C17H H17V 0.9700 .
C17H H17W 0.9700 .
C17H H17$ 0.9700 .
C18H H18V 0.9700 .
C18H H18W 0.9700 .
C18H H18$ 0.9700 .
C19H H19V 0.9700 .
C19H H19W 0.9700 .
C19H H19$ 0.9700 .
O101 C102 1.134(17) .
C102 N103 1.374(19) .
C102 H102 0.9400 .
N103 C105 1.396(12) .
N103 C104 1.419(13) .
C104 H10I 0.9700 .
C104 H10J 0.9700 .
C104 H10K 0.9700 .
C105 H10L 0.9700 .
C105 H10M 0.9700 .
C105 H10N 0.9700 .
O111 C112 1.240(10) .
C112 N113 1.321(10) .
C112 H112 0.9400 .
N113 C115 1.396(10) .
N113 C114 1.431(10) .
C114 H11A 0.9700 .
C114 H11B 0.9700 .
C114 H11C 0.9700 .
C115 H11D 0.9700 .
C115 H11E 0.9700 .
C115 H11F 0.9700 .
O121 C122 1.259(13) .
C122 N123 1.339(12) .
C122 H122 0.9400 .
N123 C125 1.377(12) .
N123 C124 1.436(12) .
C124 H12Q 0.9700 .
C124 H12R 0.9700 .
C124 H12S 0.9700 .
C125 H12T 0.9700 .
C125 H12U 0.9700 .
C125 H12V 0.9700 .
O131 C132 1.263(13) .
C132 N133 1.338(13) .
C132 H132 0.9400 .
N133 C135 1.361(12) .
N133 C134 1.443(12) .
C134 H13Q 0.9700 .
C134 H13R 0.9700 .
C134 H13S 0.9700 .
C135 H13T 0.9700 .
C135 H13U 0.9700 .
C135 H13V 0.9700 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O8D Li1 Li2 O8E 130.2(10) . .
O8A Li1 Li2 O8E -30.8(5) . .
O1D Li1 Li2 O8E -137.9(4) . .
O1A Li1 Li2 O8E 58.0(4) . .
Li3 Li1 Li2 O8E 165.5(4) . .
Ti2 Li1 Li2 O8E -122.4(4) . .
Ti1 Li1 Li2 O8E 93.4(3) . .
O8D Li1 Li2 O8B -66.5(15) . .
O8A Li1 Li2 O8B 132.6(9) . .
O1D Li1 Li2 O8B 25.4(11) . .
O1A Li1 Li2 O8B -138.7(10) . .
Li3 Li1 Li2 O8B -31.2(9) . .
Ti2 Li1 Li2 O8B 40.9(9) . .
Ti1 Li1 Li2 O8B -103.3(9) . .
O8D Li1 Li2 O1E -142.5(11) . .
O8A Li1 Li2 O1E 56.5(4) . .
O1D Li1 Li2 O1E -50.6(4) . .
O1A Li1 Li2 O1E 145.3(5) . .
Li3 Li1 Li2 O1E -107.2(4) . .
Ti2 Li1 Li2 O1E -35.1(2) . .
Ti1 Li1 Li2 O1E -179.3(4) . .
O8D Li1 Li2 O1B 20.7(11) . .
O8A Li1 Li2 O1B -140.2(4) . .
O1D Li1 Li2 O1B 112.7(5) . .
O1A Li1 Li2 O1B -51.5(4) . .
Li3 Li1 Li2 O1B 56.0(3) . .
Ti2 Li1 Li2 O1B 128.2(4) . .
Ti1 Li1 Li2 O1B -16.1(2) . .
O8D Li1 Li2 Li3 -35.3(10) . .
O8A Li1 Li2 Li3 163.7(5) . .
O1D Li1 Li2 Li3 56.6(4) . .
O1A Li1 Li2 Li3 -107.5(4) . .
Ti2 Li1 Li2 Li3 72.1(3) . .
Ti1 Li1 Li2 Li3 -72.1(3) . .
O8D Li1 Li2 Ti1 36.8(10) . .
O8A Li1 Li2 Ti1 -124.2(4) . .
O1D Li1 Li2 Ti1 128.7(4) . .
O1A Li1 Li2 Ti1 -35.4(2) . .
Li3 Li1 Li2 Ti1 72.1(3) . .
Ti2 Li1 Li2 Ti1 144.2(3) . .
O8D Li1 Li2 Ti2 -107.4(10) . .
O8A Li1 Li2 Ti2 91.6(4) . .
O1D Li1 Li2 Ti2 -15.5(3) . .
O1A Li1 Li2 Ti2 -179.6(4) . .
Li3 Li1 Li2 Ti2 -72.1(3) . .
Ti1 Li1 Li2 Ti2 -144.2(3) . .
O8D Li1 Li3 O1C 59.1(4) . .
O8A Li1 Li3 O1C -139.1(9) . .
O1D Li1 Li3 O1C 150.2(5) . .
O1A Li1 Li3 O1C -52.0(4) . .
Li2 Li1 Li3 O1C -105.2(4) . .
Ti2 Li1 Li3 O1C -175.9(4) . .
Ti1 Li1 Li3 O1C -35.0(2) . .
O8D Li1 Li3 O8C -29.1(5) . .
O8A Li1 Li3 O8C 132.7(9) . .
O1D Li1 Li3 O8C 62.0(4) . .
O1A Li1 Li3 O8C -140.2(5) . .
Li2 Li1 Li3 O8C 166.6(5) . .
Ti2 Li1 Li3 O8C 95.9(4) . .
Ti1 Li1 Li3 O8C -123.2(4) . .
O8D Li1 Li3 O8F 129.8(12) . .
O8A Li1 Li3 O8F -68.4(17) . .
O1D Li1 Li3 O8F -139.1(13) . .
O1A Li1 Li3 O8F 18.7(14) . .
Li2 Li1 Li3 O8F -34.5(12) . .
Ti2 Li1 Li3 O8F -105.2(13) . .
Ti1 Li1 Li3 O8F 35.6(12) . .
O8D Li1 Li3 O1F -139.2(4) . .
O8A Li1 Li3 O1F 22.6(10) . .
O1D Li1 Li3 O1F -48.0(4) . .
O1A Li1 Li3 O1F 109.8(5) . .
Li2 Li1 Li3 O1F 56.5(3) . .
Ti2 Li1 Li3 O1F -14.2(3) . .
Ti1 Li1 Li3 O1F 126.7(4) . .
O8D Li1 Li3 Li2 164.3(5) . .
O8A Li1 Li3 Li2 -33.9(9) . .
O1D Li1 Li3 Li2 -104.6(4) . .
O1A Li1 Li3 Li2 53.2(3) . .
Ti2 Li1 Li3 Li2 -70.7(2) . .
Ti1 Li1 Li3 Li2 70.2(2) . .
O8D Li1 Li3 Ti1 94.1(4) . .
O8A Li1 Li3 Ti1 -104.1(9) . .
O1D Li1 Li3 Ti1 -174.8(4) . .
O1A Li1 Li3 Ti1 -17.0(3) . .
Li2 Li1 Li3 Ti1 -70.2(2) . .
Ti2 Li1 Li3 Ti1 -140.9(3) . .
O8D Li1 Li3 Ti2 -125.0(4) . .
O8A Li1 Li3 Ti2 36.8(9) . .
O1D Li1 Li3 Ti2 -33.9(2) . .
O1A Li1 Li3 Ti2 123.9(4) . .
Li2 Li1 Li3 Ti2 70.7(2) . .
Ti1 Li1 Li3 Ti2 140.9(3) . .
O8E Li2 Li3 O1C 21.4(11) . .
O8B Li2 Li3 O1C -137.2(4) . .
O1E Li2 Li3 O1C 112.1(4) . .
O1B Li2 Li3 O1C -49.6(4) . .
Li1 Li2 Li3 O1C 56.8(3) . .
Ti1 Li2 Li3 O1C -14.2(2) . .
Ti2 Li2 Li3 O1C 127.5(4) . .
O8E Li2 Li3 O8C -71.0(18) . .
O8B Li2 Li3 O8C 130.5(12) . .
O1E Li2 Li3 O8C 19.8(13) . .
O1B Li2 Li3 O8C -142.0(13) . .
Li1 Li2 Li3 O8C -35.6(12) . .
Ti1 Li2 Li3 O8C -106.6(13) . .
Ti2 Li2 Li3 O8C 35.1(12) . .
O8E Li2 Li3 O8F 131.8(10) . .
O8B Li2 Li3 O8F -26.7(5) . .
O1E Li2 Li3 O8F -137.5(4) . .
O1B Li2 Li3 O8F 60.8(4) . .
Li1 Li2 Li3 O8F 167.2(5) . .
Ti1 Li2 Li3 O8F 96.2(4) . .
Ti2 Li2 Li3 O8F -122.1(4) . .
O8E Li2 Li3 O1F -141.4(10) . .
O8B Li2 Li3 O1F 60.1(4) . .
O1E Li2 Li3 O1F -50.6(4) . .
O1B Li2 Li3 O1F 147.6(5) . .
Li1 Li2 Li3 O1F -106.0(4) . .
Ti1 Li2 Li3 O1F -177.0(4) . .
Ti2 Li2 Li3 O1F -35.3(2) . .
O8E Li2 Li3 Li1 -35.4(10) . .
O8B Li2 Li3 Li1 166.1(4) . .
O1E Li2 Li3 Li1 55.4(3) . .
O1B Li2 Li3 Li1 -106.4(4) . .
Ti1 Li2 Li3 Li1 -71.0(2) . .
Ti2 Li2 Li3 Li1 70.7(2) . .
O8E Li2 Li3 Ti1 35.6(10) . .
O8B Li2 Li3 Ti1 -122.9(4) . .
O1E Li2 Li3 Ti1 126.4(4) . .
O1B Li2 Li3 Ti1 -35.4(2) . .
Li1 Li2 Li3 Ti1 71.0(2) . .
Ti2 Li2 Li3 Ti1 141.7(2) . .
O8E Li2 Li3 Ti2 -106.1(10) . .
O8B Li2 Li3 Ti2 95.4(3) . .
O1E Li2 Li3 Ti2 -15.4(2) . .
O1B Li2 Li3 Ti2 -177.1(4) . .
Li1 Li2 Li3 Ti2 -70.7(2) . .
Ti1 Li2 Li3 Ti2 -141.7(2) . .
O8E Li2 Ti1 O2A 10.3(4) . .
O8B Li2 Ti1 O2A -104.6(5) . .
O1E Li2 Ti1 O2A 108.1(5) . .
O1B Li2 Ti1 O2A -105.4(4) . .
Li3 Li2 Ti1 O2A 175.7(2) . .
Li1 Li2 Ti1 O2A 107.4(3) . .
Ti2 Li2 Ti1 O2A 140.3(2) . .
O8E Li2 Ti1 O2C -103.4(5) . .
O8B Li2 Ti1 O2C 141.8(4) . .
O1E Li2 Ti1 O2C -5.5(8) . .
O1B Li2 Ti1 O2C 140.9(4) . .
Li3 Li2 Ti1 O2C 62.1(5) . .
Li1 Li2 Ti1 O2C -6.2(6) . .
Ti2 Li2 Ti1 O2C 26.6(6) . .
O8E Li2 Ti1 O2B 107.5(3) . .
O8B Li2 Ti1 O2B -7.3(5) . .
O1E Li2 Ti1 O2B -154.6(4) . .
O1B Li2 Ti1 O2B -8.1(4) . .
Li3 Li2 Ti1 O2B -87.0(3) . .
Li1 Li2 Ti1 O2B -155.3(2) . .
Ti2 Li2 Ti1 O2B -122.4(2) . .
O8E Li2 Ti1 O1A -62.7(3) . .
O8B Li2 Ti1 O1A -177.6(6) . .
O1E Li2 Ti1 O1A 35.1(4) . .
O1B Li2 Ti1 O1A -178.4(5) . .
Li3 Li2 Ti1 O1A 102.7(3) . .
Li1 Li2 Ti1 O1A 34.4(2) . .
Ti2 Li2 Ti1 O1A 67.3(2) . .
O8E Li2 Ti1 O1B 115.7(6) . .
O8B Li2 Ti1 O1B 0.8(3) . .
O1E Li2 Ti1 O1B -146.5(7) . .
Li3 Li2 Ti1 O1B -78.9(4) . .
Li1 Li2 Ti1 O1B -147.2(5) . .
Ti2 Li2 Ti1 O1B -114.3(5) . .
O8E Li2 Ti1 O1C -151.9(4) . .
O8B Li2 Ti1 O1C 93.2(5) . .
O1E Li2 Ti1 O1C -54.1(4) . .
O1B Li2 Ti1 O1C 92.4(4) . .
Li3 Li2 Ti1 O1C 13.6(2) . .
Li1 Li2 Ti1 O1C -54.8(2) . .
Ti2 Li2 Ti1 O1C -21.9(2) . .
O8E Li2 Ti1 Li3 -165.5(4) . .
O8B Li2 Ti1 Li3 79.7(5) . .
O1E Li2 Ti1 Li3 -67.6(5) . .
O1B Li2 Ti1 Li3 78.9(4) . .
Li1 Li2 Ti1 Li3 -68.3(3) . .
Ti2 Li2 Ti1 Li3 -35.4(3) . .
O8E Li2 Ti1 Li1 -97.1(4) . .
O8B Li2 Ti1 Li1 148.0(6) . .
O1E Li2 Ti1 Li1 0.7(4) . .
O1B Li2 Ti1 Li1 147.2(5) . .
Li3 Li2 Ti1 Li1 68.3(3) . .
Ti2 Li2 Ti1 Li1 32.9(3) . .
O1C Li3 Ti1 O2A 141.1(4) . .
O8C Li3 Ti1 O2A 143.3(4) . .
O8F Li3 Ti1 O2A -104.5(5) . .
O1F Li3 Ti1 O2A -6.9(8) . .
Li1 Li3 Ti1 O2A 62.2(5) . .
Li2 Li3 Ti1 O2A -9.9(6) . .
Ti2 Li3 Ti1 O2A 25.8(6) . .
O1C Li3 Ti1 O2C -6.1(4) . .
O8C Li3 Ti1 O2C -3.9(5) . .
O8F Li3 Ti1 O2C 108.2(4) . .
O1F Li3 Ti1 O2C -154.1(4) . .
Li1 Li3 Ti1 O2C -85.0(3) . .
Li2 Li3 Ti1 O2C -157.1(2) . .
Ti2 Li3 Ti1 O2C -121.4(3) . .
O1C Li3 Ti1 O2B -102.1(4) . .
O8C Li3 Ti1 O2B -99.8(5) . .
O8F Li3 Ti1 O2B 12.3(4) . .
O1F Li3 Ti1 O2B 110.0(5) . .
Li1 Li3 Ti1 O2B 179.1(3) . .
Li2 Li3 Ti1 O2B 106.9(2) . .
Ti2 Li3 Ti1 O2B 142.6(3) . .
O1C Li3 Ti1 O1A 95.5(4) . .
O8C Li3 Ti1 O1A 97.7(5) . .
O8F Li3 Ti1 O1A -150.1(4) . .
O1F Li3 Ti1 O1A -52.5(5) . .
Li1 Li3 Ti1 O1A 16.6(3) . .
Li2 Li3 Ti1 O1A -55.5(2) . .
Ti2 Li3 Ti1 O1A -19.8(2) . .
O1C Li3 Ti1 O1B -174.0(5) . .
O8C Li3 Ti1 O1B -171.7(6) . .
O8F Li3 Ti1 O1B -59.6(3) . .
O1F Li3 Ti1 O1B 38.0(4) . .
Li1 Li3 Ti1 O1B 107.2(3) . .
Li2 Li3 Ti1 O1B 35.0(2) . .
Ti2 Li3 Ti1 O1B 70.7(3) . .
O8C Li3 Ti1 O1C 2.3(3) . .
O8F Li3 Ti1 O1C 114.4(6) . .
O1F Li3 Ti1 O1C -148.0(7) . .
Li1 Li3 Ti1 O1C -78.8(4) . .
Li2 Li3 Ti1 O1C -151.0(5) . .
Ti2 Li3 Ti1 O1C -115.3(5) . .
O1C Li3 Ti1 Li2 151.0(5) . .
O8C Li3 Ti1 Li2 153.2(6) . .
O8F Li3 Ti1 Li2 -94.6(4) . .
O1F Li3 Ti1 Li2 3.0(4) . .
Li1 Li3 Ti1 Li2 72.1(3) . .
Ti2 Li3 Ti1 Li2 35.7(2) . .
O1C Li3 Ti1 Li1 78.8(4) . .
O8C Li3 Ti1 Li1 81.1(5) . .
O8F Li3 Ti1 Li1 -166.8(5) . .
O1F Li3 Ti1 Li1 -69.1(5) . .
Li2 Li3 Ti1 Li1 -72.1(3) . .
Ti2 Li3 Ti1 Li1 -36.5(3) . .
O8D Li1 Ti1 O2A 109.4(4) . .
O8A Li1 Ti1 O2A -11.1(6) . .
O1D Li1 Ti1 O2A -151.1(5) . .
O1A Li1 Ti1 O2A -11.7(5) . .
Li3 Li1 Ti1 O2A -156.3(2) . .
Li2 Li1 Ti1 O2A -86.9(3) . .
Ti2 Li1 Ti1 O2A -119.9(3) . .
O8D Li1 Ti1 O2C 13.6(4) . .
O8A Li1 Ti1 O2C -106.8(5) . .
O1D Li1 Ti1 O2C 113.2(5) . .
O1A Li1 Ti1 O2C -107.5(4) . .
Li3 Li1 Ti1 O2C 108.0(3) . .
Li2 Li1 Ti1 O2C 177.4(2) . .
Ti2 Li1 Ti1 O2C 144.3(3) . .
O8D Li1 Ti1 O2B -96.4(6) . .
O8A Li1 Ti1 O2B 143.1(4) . .
O1D Li1 Ti1 O2B 3.1(9) . .
O1A Li1 Ti1 O2B 142.5(4) . .
Li3 Li1 Ti1 O2B -2.1(6) . .
Li2 Li1 Ti1 O2B 67.3(6) . .
Ti2 Li1 Ti1 O2B 34.3(7) . .
O8D Li1 Ti1 O1A 121.1(6) . .
O8A Li1 Ti1 O1A 0.6(3) . .
O1D Li1 Ti1 O1A -139.4(8) . .
Li3 Li1 Ti1 O1A -144.6(5) . .
Li2 Li1 Ti1 O1A -75.1(4) . .
Ti2 Li1 Ti1 O1A -108.2(5) . .
O8D Li1 Ti1 O1B -148.2(4) . .
O8A Li1 Ti1 O1B 91.3(5) . .
O1D Li1 Ti1 O1B -48.7(5) . .
O1A Li1 Ti1 O1B 90.7(4) . .
Li3 Li1 Ti1 O1B -53.9(2) . .
Li2 Li1 Ti1 O1B 15.5(2) . .
Ti2 Li1 Ti1 O1B -17.5(3) . .
O8D Li1 Ti1 O1C -60.0(4) . .
O8A Li1 Ti1 O1C 179.5(6) . .
O1D Li1 Ti1 O1C 39.5(4) . .
O1A Li1 Ti1 O1C 178.9(5) . .
Li3 Li1 Ti1 O1C 34.3(2) . .
Li2 Li1 Ti1 O1C 103.7(3) . .
Ti2 Li1 Ti1 O1C 70.7(3) . .
O8D Li1 Ti1 Li2 -163.7(5) . .
O8A Li1 Ti1 Li2 75.8(5) . .
O1D Li1 Ti1 Li2 -64.2(5) . .
O1A Li1 Ti1 Li2 75.1(4) . .
Li3 Li1 Ti1 Li2 -69.4(3) . .
Ti2 Li1 Ti1 Li2 -33.0(3) . .
O8D Li1 Ti1 Li3 -94.3(4) . .
O8A Li1 Ti1 Li3 145.2(6) . .
O1D Li1 Ti1 Li3 5.2(4) . .
O1A Li1 Ti1 Li3 144.6(5) . .
Li2 Li1 Ti1 Li3 69.4(3) . .
Ti2 Li1 Ti1 Li3 36.4(3) . .
O8D Li1 Ti2 O2F 138.2(5) . .
O8A Li1 Ti2 O2F -102.9(6) . .
O1D Li1 Ti2 O2F 137.5(5) . .
O1A Li1 Ti2 O2F -9.2(10) . .
Li3 Li1 Ti2 O2F 59.6(6) . .
Li2 Li1 Ti2 O2F -9.6(7) . .
Ti1 Li1 Ti2 O2F 23.3(8) . .
O8D Li1 Ti2 O2D -9.7(6) . .
O8A Li1 Ti2 O2D 109.2(3) . .
O1D Li1 Ti2 O2D -10.4(5) . .
O1A Li1 Ti2 O2D -157.1(5) . .
Li3 Li1 Ti2 O2D -88.3(3) . .
Li2 Li1 Ti2 O2D -157.5(2) . .
Ti1 Li1 Ti2 O2D -124.6(3) . .
O8D Li1 Ti2 O2E -106.4(6) . .
O8A Li1 Ti2 O2E 12.5(4) . .
O1D Li1 Ti2 O2E -107.1(4) . .
O1A Li1 Ti2 O2E 106.2(5) . .
Li3 Li1 Ti2 O2E 175.0(3) . .
Li2 Li1 Ti2 O2E 105.8(2) . .
Ti1 Li1 Ti2 O2E 138.7(3) . .
O8D Li1 Ti2 O1D 0.7(3) . .
O8A Li1 Ti2 O1D 119.6(6) . .
O1A Li1 Ti2 O1D -146.7(8) . .
Li3 Li1 Ti2 O1D -77.9(5) . .
Li2 Li1 Ti2 O1D -147.0(5) . .
Ti1 Li1 Ti2 O1D -114.2(6) . .
O8D Li1 Ti2 O1F 92.3(5) . .
O8A Li1 Ti2 O1F -148.8(4) . .
O1D Li1 Ti2 O1F 91.6(4) . .
O1A Li1 Ti2 O1F -55.1(5) . .
Li3 Li1 Ti2 O1F 13.7(2) . .
Li2 Li1 Ti2 O1F -55.4(2) . .
Ti1 Li1 Ti2 O1F -22.6(3) . .
O8D Li1 Ti2 O1E -178.7(6) . .
O8A Li1 Ti2 O1E -59.8(3) . .
O1D Li1 Ti2 O1E -179.4(5) . .
O1A Li1 Ti2 O1E 33.9(4) . .
Li3 Li1 Ti2 O1E 102.7(3) . .
Li2 Li1 Ti2 O1E 33.5(2) . .
Ti1 Li1 Ti2 O1E 66.4(3) . .
O8D Li1 Ti2 Li3 78.6(6) . .
O8A Li1 Ti2 Li3 -162.5(5) . .
O1D Li1 Ti2 Li3 77.9(5) . .
O1A Li1 Ti2 Li3 -68.8(5) . .
Li2 Li1 Ti2 Li3 -69.2(3) . .
Ti1 Li1 Ti2 Li3 -36.3(3) . .
O8D Li1 Ti2 Li2 147.7(7) . .
O8A Li1 Ti2 Li2 -93.4(4) . .
O1D Li1 Ti2 Li2 147.0(5) . .
O1A Li1 Ti2 Li2 0.4(4) . .
Li3 Li1 Ti2 Li2 69.2(3) . .
Ti1 Li1 Ti2 Li2 32.9(2) . .
O1C Li3 Ti2 O2F -154.1(5) . .
O8C Li3 Ti2 O2F 107.1(4) . .
O8F Li3 Ti2 O2F -4.4(6) . .
O1F Li3 Ti2 O2F -6.9(4) . .
Li1 Li3 Ti2 O2F -158.2(3) . .
Li2 Li3 Ti2 O2F -86.2(3) . .
Ti1 Li3 Ti2 O2F -121.7(3) . .
O1C Li3 Ti2 O2D 109.6(5) . .
O8C Li3 Ti2 O2D 10.8(4) . .
O8F Li3 Ti2 O2D -100.7(5) . .
O1F Li3 Ti2 O2D -103.2(4) . .
Li1 Li3 Ti2 O2D 105.5(3) . .
Li2 Li3 Ti2 O2D 177.5(2) . .
Ti1 Li3 Ti2 O2D 142.0(3) . .
O1C Li3 Ti2 O2E -7.7(9) . .
O8C Li3 Ti2 O2E -106.5(5) . .
O8F Li3 Ti2 O2E 142.0(4) . .
O1F Li3 Ti2 O2E 139.5(5) . .
Li1 Li3 Ti2 O2E -11.8(6) . .
Li2 Li3 Ti2 O2E 60.2(6) . .
Ti1 Li3 Ti2 O2E 24.7(7) . .
O1C Li3 Ti2 O1D 37.6(4) . .
O8C Li3 Ti2 O1D -61.2(3) . .
O8F Li3 Ti2 O1D -172.7(6) . .
O1F Li3 Ti2 O1D -175.2(5) . .
Li1 Li3 Ti2 O1D 33.5(2) . .
Li2 Li3 Ti2 O1D 105.5(3) . .
Ti1 Li3 Ti2 O1D 70.0(3) . .
O1C Li3 Ti2 O1F -147.2(8) . .
O8C Li3 Ti2 O1F 114.0(6) . .
O8F Li3 Ti2 O1F 2.5(3) . .
Li1 Li3 Ti2 O1F -151.3(5) . .
Li2 Li3 Ti2 O1F -79.3(4) . .
Ti1 Li3 Ti2 O1F -114.8(5) . .
O1C Li3 Ti2 O1E -53.1(5) . .
O8C Li3 Ti2 O1E -152.0(4) . .
O8F Li3 Ti2 O1E 96.6(5) . .
O1F Li3 Ti2 O1E 94.0(4) . .
Li1 Li3 Ti2 O1E -57.3(2) . .
Li2 Li3 Ti2 O1E 14.8(2) . .
Ti1 Li3 Ti2 O1E -20.8(3) . .
O1C Li3 Ti2 Li1 4.1(4) . .
O8C Li3 Ti2 Li1 -94.7(4) . .
O8F Li3 Ti2 Li1 153.8(6) . .
O1F Li3 Ti2 Li1 151.3(5) . .
Li2 Li3 Ti2 Li1 72.0(3) . .
Ti1 Li3 Ti2 Li1 36.5(3) . .
O1C Li3 Ti2 Li2 -67.9(5) . .
O8C Li3 Ti2 Li2 -166.7(5) . .
O8F Li3 Ti2 Li2 81.8(5) . .
O1F Li3 Ti2 Li2 79.3(4) . .
Li1 Li3 Ti2 Li2 -72.0(3) . .
Ti1 Li3 Ti2 Li2 -35.5(3) . .
O8E Li2 Ti2 O2F -101.6(5) . .
O8B Li2 Ti2 O2F 13.8(4) . .
O1E Li2 Ti2 O2F -104.1(4) . .
O1B Li2 Ti2 O2F 110.5(4) . .
Li3 Li2 Ti2 O2F 107.7(3) . .
Li1 Li2 Ti2 O2F 176.1(3) . .
Ti1 Li2 Ti2 O2F 143.1(3) . .
O8E Li2 Ti2 O2D 144.7(4) . .
O8B Li2 Ti2 O2D -99.8(6) . .
O1E Li2 Ti2 O2D 142.2(5) . .
O1B Li2 Ti2 O2D -3.1(8) . .
Li3 Li2 Ti2 O2D -6.0(6) . .
Li1 Li2 Ti2 O2D 62.4(6) . .
Ti1 Li2 Ti2 O2D 29.5(6) . .
O8E Li2 Ti2 O2E -6.6(5) . .
O8B Li2 Ti2 O2E 108.9(3) . .
O1E Li2 Ti2 O2E -9.1(4) . .
O1B Li2 Ti2 O2E -154.4(4) . .
Li3 Li2 Ti2 O2E -157.3(2) . .
Li1 Li2 Ti2 O2E -88.9(3) . .
Ti1 Li2 Ti2 O2E -121.8(2) . .
O8E Li2 Ti2 O1D 97.2(5) . .
O8B Li2 Ti2 O1D -147.4(4) . .
O1E Li2 Ti2 O1D 94.6(4) . .
O1B Li2 Ti2 O1D -50.7(4) . .
Li3 Li2 Ti2 O1D -53.6(2) . .
Li1 Li2 Ti2 O1D 14.9(3) . .
Ti1 Li2 Ti2 O1D -18.1(2) . .
O8E Li2 Ti2 O1F -174.3(6) . .
O8B Li2 Ti2 O1F -58.8(3) . .
O1E Li2 Ti2 O1F -176.8(5) . .
O1B Li2 Ti2 O1F 37.9(4) . .
Li3 Li2 Ti2 O1F 35.0(2) . .
Li1 Li2 Ti2 O1F 103.4(3) . .
Ti1 Li2 Ti2 O1F 70.4(2) . .
O8E Li2 Ti2 O1E 2.5(3) . .
O8B Li2 Ti2 O1E 118.0(6) . .
O1B Li2 Ti2 O1E -145.3(7) . .
Li3 Li2 Ti2 O1E -148.2(5) . .
Li1 Li2 Ti2 O1E -79.8(4) . .
Ti1 Li2 Ti2 O1E -112.7(5) . .
O8E Li2 Ti2 Li1 82.3(5) . .
O8B Li2 Ti2 Li1 -162.2(5) . .
O1E Li2 Ti2 Li1 79.8(4) . .
O1B Li2 Ti2 Li1 -65.5(5) . .
Li3 Li2 Ti2 Li1 -68.4(3) . .
Ti1 Li2 Ti2 Li1 -33.0(3) . .
O8E Li2 Ti2 Li3 150.7(6) . .
O8B Li2 Ti2 Li3 -93.8(4) . .
O1E Li2 Ti2 Li3 148.2(5) . .
O1B Li2 Ti2 Li3 2.9(4) . .
Li1 Li2 Ti2 Li3 68.4(3) . .
Ti1 Li2 Ti2 Li3 35.5(3) . .
O8D Li1 O1A C1A 96.1(7) . .
O8A Li1 O1A C1A -17.5(7) . .
O1D Li1 O1A C1A -137.3(9) . .
Li3 Li1 O1A C1A -167.5(4) . .
Li2 Li1 O1A C1A -112.2(5) . .
Ti2 Li1 O1A C1A -112.6(5) . .
Ti1 Li1 O1A C1A 161.9(7) . .
O8D Li1 O1A Ti1 -65.8(6) . .
O8A Li1 O1A Ti1 -179.5(3) . .
O1D Li1 O1A Ti1 60.8(11) . .
Li3 Li1 O1A Ti1 30.5(4) . .
Li2 Li1 O1A Ti1 85.9(3) . .
Ti2 Li1 O1A Ti1 85.5(5) . .
O2A Ti1 O1A C1A 5.3(4) . .
O2C Ti1 O1A C1A -86.1(4) . .
O2B Ti1 O1A C1A 77.7(7) . .
O1B Ti1 O1A C1A 109.4(4) . .
O1C Ti1 O1A C1A -164.3(4) . .
Li2 Ti1 O1A C1A 110.2(4) . .
Li3 Ti1 O1A C1A 167.0(4) . .
Li1 Ti1 O1A C1A -163.4(6) . .
O2A Ti1 O1A Li1 168.7(4) . .
O2C Ti1 O1A Li1 77.3(4) . .
O2B Ti1 O1A Li1 -118.9(6) . .
O1B Ti1 O1A Li1 -87.2(4) . .
O1C Ti1 O1A Li1 -0.9(4) . .
Li2 Ti1 O1A Li1 -86.4(5) . .
Li3 Ti1 O1A Li1 -29.6(4) . .
O2C Ti1 O2A C2A 96.2(4) . .
O2B Ti1 O2A C2A -170.0(4) . .
O1A Ti1 O2A C2A -6.7(4) . .
O1B Ti1 O2A C2A -90.4(4) . .
O1C Ti1 O2A C2A 29.4(8) . .
Li2 Ti1 O2A C2A -61.2(4) . .
Li3 Ti1 O2A C2A -52.8(7) . .
Li1 Ti1 O2A C2A -0.9(5) . .
Li1 O1A C1A C6A 11.5(9) . .
Ti1 O1A C1A C6A 174.5(5) . .
Li1 O1A C1A C2A -166.2(5) . .
Ti1 O1A C1A C2A -3.3(6) . .
Ti1 O2A C2A C3A -173.1(5) . .
Ti1 O2A C2A C1A 6.8(6) . .
O1A C1A C2A O2A -1.9(7) . .
C6A C1A C2A O2A -179.9(5) . .
O1A C1A C2A C3A 177.9(5) . .
C6A C1A C2A C3A 0.0(9) . .
O2A C2A C3A C4A -178.0(6) . .
C1A C2A C3A C4A 2.1(10) . .
C2A C3A C4A C5A -1.8(11) . .
C3A C4A C5A C6A -0.7(12) . .
O1A C1A C6A C5A -179.9(6) . .
C2A C1A C6A C5A -2.2(9) . .
O1A C1A C6A C7A 0.2(9) . .
C2A C1A C6A C7A 177.9(5) . .
C4A C5A C6A C1A 2.7(10) . .
C4A C5A C6A C7A -177.5(7) . .
C1A C6A C7A O8A 1.0(9) . .
C5A C6A C7A O8A -178.8(6) . .
C1A C6A C7A O9A -179.0(5) . .
C5A C6A C7A O9A 1.1(9) . .
O9A C7A O8A Li1 164.6(6) . .
C6A C7A O8A Li1 -15.4(10) . .
O8D Li1 O8A C7A -93.0(7) . .
O1D Li1 O8A C7A 164.7(5) . .
O1A Li1 O8A C7A 20.7(8) . .
Li3 Li1 O8A C7A 106.4(10) . .
Li2 Li1 O8A C7A 77.6(7) . .
Ti2 Li1 O8A C7A 138.2(5) . .
Ti1 Li1 O8A C7A 20.3(9) . .
O8A C7A O9A C10A 6.3(9) . .
C6A C7A O9A C10A -173.6(6) . .
C7A O9A C10A C11A 177.1(7) . .
C7A O9A C10A C15A -63.6(8) . .
O9A C10A C11A C19A -72.7(11) . .
C15A C10A C11A C19A 162.3(10) . .
O9A C10A C11A C12A 59.5(10) . .
C15A C10A C11A C12A -65.4(10) . .
O9A C10A C11A C16A 161.3(9) . .
C15A C10A C11A C16A 36.4(11) . .
C19A C11A C12A C13A -160.3(9) . .
C10A C11A C12A C13A 69.7(9) . .
C16A C11A C12A C13A -32.3(9) . .
C11A C12A C13A C14A -1.0(11) . .
C12A C13A C14A C16A 37.8(10) . .
C12A C13A C14A C15A -71.9(13) . .
O9A C10A C15A C14A -127.3(9) . .
C11A C10A C15A C14A -6.6(11) . .
C16A C14A C15A C10A -29.5(12) . .
C13A C14A C15A C10A 77.8(13) . .
C13A C14A C16A C17A -174.2(9) . .
C15A C14A C16A C17A -64.9(12) . .
C13A C14A C16A C11A -58.2(10) . .
C15A C14A C16A C11A 51.1(12) . .
C13A C14A C16A C18A 60.6(13) . .
C15A C14A C16A C18A 169.9(10) . .
C19A C11A C16A C14A -176.1(11) . .
C10A C11A C16A C14A -53.0(11) . .
C12A C11A C16A C14A 55.9(10) . .
C19A C11A C16A C17A -61.5(14) . .
C10A C11A C16A C17A 61.5(13) . .
C12A C11A C16A C17A 170.4(11) . .
C19A C11A C16A C18A 63.0(16) . .
C10A C11A C16A C18A -174.0(12) . .
C12A C11A C16A C18A -65.1(14) . .
O8E Li2 O1B C1B 94.7(6) . .
O8B Li2 O1B C1B -13.2(6) . .
O1E Li2 O1B C1B -141.7(8) . .
Li3 Li2 O1B C1B -110.7(5) . .
Li1 Li2 O1B C1B -165.7(4) . .
Ti1 Li2 O1B C1B 166.1(7) . .
Ti2 Li2 O1B C1B -113.6(5) . .
O8E Li2 O1B Ti1 -71.5(6) . .
O8B Li2 O1B Ti1 -179.3(3) . .
O1E Li2 O1B Ti1 52.2(10) . .
Li3 Li2 O1B Ti1 83.1(3) . .
Li1 Li2 O1B Ti1 28.1(4) . .
Ti2 Li2 O1B Ti1 80.2(5) . .
O2A Ti1 O1B C1B -87.8(4) . .
O2C Ti1 O1B C1B 70.5(7) . .
O2B Ti1 O1B C1B 4.7(3) . .
O1A Ti1 O1B C1B -166.1(4) . .
O1C Ti1 O1B C1B 107.6(4) . .
Li2 Ti1 O1B C1B -167.4(6) . .
Li3 Ti1 O1B C1B 110.5(4) . .
Li1 Ti1 O1B C1B 164.5(4) . .
O2A Ti1 O1B Li2 79.7(4) . .
O2C Ti1 O1B Li2 -122.1(6) . .
O2B Ti1 O1B Li2 172.1(4) . .
O1A Ti1 O1B Li2 1.4(4) . .
O1C Ti1 O1B Li2 -85.0(4) . .
Li3 Ti1 O1B Li2 -82.1(4) . .
Li1 Ti1 O1B Li2 -28.0(4) . .
O2A Ti1 O2B C2B 97.2(4) . .
O2C Ti1 O2B C2B -168.8(4) . .
O1A Ti1 O2B C2B 27.0(8) . .
O1B Ti1 O2B C2B -5.3(4) . .
O1C Ti1 O2B C2B -88.8(4) . .
Li2 Ti1 O2B C2B -1.2(4) . .
Li3 Ti1 O2B C2B -60.1(4) . .
Li1 Ti1 O2B C2B -58.3(7) . .
Li2 O1B C1B C6B 8.7(8) . .
Ti1 O1B C1B C6B 175.5(4) . .
Li2 O1B C1B C2B -170.2(5) . .
Ti1 O1B C1B C2B -3.4(6) . .
Ti1 O2B C2B C3B -175.6(5) . .
Ti1 O2B C2B C1B 5.1(6) . .
O1B C1B C2B O2B -0.8(7) . .
C6B C1B C2B O2B -179.8(5) . .
O1B C1B C2B C3B 179.8(5) . .
C6B C1B C2B C3B 0.9(8) . .
O2B C2B C3B C4B -178.8(6) . .
C1B C2B C3B C4B 0.5(9) . .
C2B C3B C4B C5B -0.8(10) . .
C3B C4B C5B C6B -0.1(10) . .
O1B C1B C6B C5B 179.4(5) . .
C2B C1B C6B C5B -1.8(8) . .
O1B C1B C6B C7B -1.1(8) . .
C2B C1B C6B C7B 177.7(5) . .
C4B C5B C6B C1B 1.5(9) . .
C4B C5B C6B C7B -178.0(6) . .
C1B C6B C7B O8B 4.2(9) . .
C5B C6B C7B O8B -176.3(6) . .
C1B C6B C7B O9B -176.6(5) . .
C5B C6B C7B O9B 2.9(7) . .
O9B C7B O8B Li2 165.7(5) . .
C6B C7B O8B Li2 -15.1(9) . .
O8E Li2 O8B C7B -94.0(6) . .
O1E Li2 O8B C7B 166.4(5) . .
O1B Li2 O8B C7B 17.1(7) . .
Li3 Li2 O8B C7B 76.7(6) . .
Li1 Li2 O8B C7B 103.1(10) . .
Ti1 Li2 O8B C7B 16.6(8) . .
Ti2 Li2 O8B C7B 138.1(5) . .
O8B C7B O9B C10B 5.4(8) . .
C6B C7B O9B C10B -173.9(5) . .
C7B O9B C10B C11B 173.9(6) . .
C7B O9B C10B C15B -69.0(8) . .
O9B C10B C11B C19B -70.4(9) . .
C15B C10B C11B C19B 166.3(8) . .
O9B C10B C11B C16B 161.7(6) . .
C15B C10B C11B C16B 38.4(8) . .
O9B C10B C11B C12B 57.4(9) . .
C15B C10B C11B C12B -65.9(9) . .
C19B C11B C12B C13B -162.6(8) . .
C16B C11B C12B C13B -33.1(9) . .
C10B C11B C12B C13B 70.7(9) . .
C11B C12B C13B C14B -1.7(11) . .
C12B C13B C14B C16B 36.7(10) . .
C12B C13B C14B C15B -72.6(12) . .
C13B C14B C15B C10B 76.5(12) . .
C16B C14B C15B C10B -33.7(12) . .
O9B C10B C15B C14B -122.6(9) . .
C11B C10B C15B C14B -3.0(10) . .
C19B C11B C16B C17B -62.8(11) . .
C10B C11B C16B C17B 61.4(9) . .
C12B C11B C16B C17B 170.3(8) . .
C19B C11B C16B C14B 179.0(9) . .
C10B C11B C16B C14B -56.8(9) . .
C12B C11B C16B C14B 52.1(9) . .
C19B C11B C16B C18B 61.0(12) . .
C10B C11B C16B C18B -174.8(8) . .
C12B C11B C16B C18B -65.9(10) . .
C13B C14B C16B C17B -173.8(8) . .
C15B C14B C16B C17B -60.8(11) . .
C13B C14B C16B C11B -56.3(9) . .
C15B C14B C16B C11B 56.6(11) . .
C13B C14B C16B C18B 62.1(11) . .
C15B C14B C16B C18B 175.0(9) . .
O8C Li3 O1C C1C -16.4(6) . .
O8F Li3 O1C C1C 88.2(6) . .
O1F Li3 O1C C1C -147.1(9) . .
Li1 Li3 O1C C1C -114.7(5) . .
Li2 Li3 O1C C1C -173.2(4) . .
Ti1 Li3 O1C C1C 161.7(7) . .
Ti2 Li3 O1C C1C -118.9(5) . .
O8C Li3 O1C Ti1 -178.1(3) . .
O8F Li3 O1C Ti1 -73.5(5) . .
O1F Li3 O1C Ti1 51.2(11) . .
Li1 Li3 O1C Ti1 83.6(3) . .
Li2 Li3 O1C Ti1 25.1(4) . .
Ti2 Li3 O1C Ti1 79.4(5) . .
O2A Ti1 O1C C1C 79.3(7) . .
O2C Ti1 O1C C1C 10.5(4) . .
O2B Ti1 O1C C1C -80.9(4) . .
O1A Ti1 O1C C1C 114.8(4) . .
O1B Ti1 O1C C1C -158.5(4) . .
Li2 Ti1 O1C C1C 171.9(4) . .
Li3 Ti1 O1C C1C -163.6(6) . .
Li1 Ti1 O1C C1C 114.2(4) . .
O2A Ti1 O1C Li3 -117.1(6) . .
O2C Ti1 O1C Li3 174.1(4) . .
O2B Ti1 O1C Li3 82.7(4) . .
O1A Ti1 O1C Li3 -81.6(4) . .
O1B Ti1 O1C Li3 5.1(4) . .
Li2 Ti1 O1C Li3 -24.5(4) . .
Li1 Ti1 O1C Li3 -82.2(4) . .
O2A Ti1 O2C C2C -175.1(4) . .
O2B Ti1 O2C C2C 89.7(4) . .
O1A Ti1 O2C C2C -95.1(4) . .
O1B Ti1 O2C C2C 26.1(8) . .
O1C Ti1 O2C C2C -11.7(4) . .
Li2 Ti1 O2C C2C -60.9(7) . .
Li3 Ti1 O2C C2C -8.7(4) . .
Li1 Ti1 O2C C2C -66.4(4) . .
Li3 O1C C1C C6C 7.6(8) . .
Ti1 O1C C1C C6C 170.6(5) . .
Li3 O1C C1C C2C -170.8(5) . .
Ti1 O1C C1C C2C -7.8(6) . .
Ti1 O2C C2C C3C -169.8(5) . .
Ti1 O2C C2C C1C 10.9(6) . .
O1C C1C C2C O2C -1.4(7) . .
C6C C1C C2C O2C -179.8(5) . .
O1C C1C C2C C3C 179.2(5) . .
C6C C1C C2C C3C 0.8(8) . .
O2C C2C C3C C4C 179.8(6) . .
C1C C2C C3C C4C -0.9(9) . .
C2C C3C C4C C5C 0.9(10) . .
C3C C4C C5C C6C -0.6(10) . .
O1C C1C C6C C5C -178.8(5) . .
C2C C1C C6C C5C -0.5(8) . .
O1C C1C C6C C7C 4.2(9) . .
C2C C1C C6C C7C -177.5(5) . .
C4C C5C C6C C1C 0.5(9) . .
C4C C5C C6C C7C 177.4(6) . .
C1C C6C C7C O8C 0.6(9) . .
C5C C6C C7C O8C -176.3(6) . .
C1C C6C C7C O9C 178.8(5) . .
C5C C6C C7C O9C 1.9(8) . .
O9C C7C O8C Li3 165.2(5) . .
C6C C7C O8C Li3 -16.8(9) . .
O1C Li3 O8C C7C 21.5(7) . .
O8F Li3 O8C C7C -90.2(7) . .
O1F Li3 O8C C7C 173.3(5) . .
Li1 Li3 O8C C7C 81.6(6) . .
Li2 Li3 O8C C7C 112.9(12) . .
Ti1 Li3 O8C C7C 20.3(8) . .
Ti2 Li3 O8C C7C 143.6(5) . .
O8C C7C O9C C10C 7.1(8) . .
C6C C7C O9C C10C -171.2(5) . .
C7C O9C C10C C11C 176.5(6) . .
C7C O9C C10C C15C -67.3(7) . .
O9C C10C C11C C19C -68.8(9) . .
C15C C10C C11C C19C 168.4(8) . .
O9C C10C C11C C16C 162.2(7) . .
C15C C10C C11C C16C 39.4(8) . .
O9C C10C C11C C12C 55.5(8) . .
C15C C10C C11C C12C -67.2(8) . .
C19C C11C C12C C13C -162.1(8) . .
C16C C11C C12C C13C -31.3(9) . .
C10C C11C C12C C13C 73.8(9) . .
C11C C12C C13C C14C -5.1(10) . .
C12C C13C C14C C15C -69.1(11) . .
C12C C13C C14C C16C 38.6(10) . .
C13C C14C C15C C10C 77.2(10) . .
C16C C14C C15C C10C -30.0(9) . .
O9C C10C C15C C14C -124.9(7) . .
C11C C10C C15C C14C -5.1(8) . .
C19C C11C C16C C17C -62.6(12) . .
C10C C11C C16C C17C 62.3(10) . .
C12C C11C C16C C17C 170.3(8) . .
C19C C11C C16C C18C 61.5(13) . .
C10C C11C C16C C18C -173.7(9) . .
C12C C11C C16C C18C -65.6(11) . .
C19C C11C C16C C14C 179.9(8) . .
C10C C11C C16C C14C -55.3(7) . .
C12C C11C C16C C14C 52.8(7) . .
C15C C14C C16C C17C -66.1(10) . .
C13C C14C C16C C17C -176.1(8) . .
C15C C14C C16C C11C 53.0(8) . .
C13C C14C C16C C11C -56.9(8) . .
C15C C14C C16C C18C 169.9(8) . .
C13C C14C C16C C18C 59.9(11) . .
O8D Li1 O1D C1D -15.8(7) . .
O8A Li1 O1D C1D 98.2(6) . .
O1A Li1 O1D C1D -147.2(8) . .
Li3 Li1 O1D C1D -111.4(5) . .
Li2 Li1 O1D C1D -168.1(4) . .
Ti2 Li1 O1D C1D 163.6(7) . .
Ti1 Li1 O1D C1D -116.7(5) . .
O8D Li1 O1D Ti2 -179.4(3) . .
O8A Li1 O1D Ti2 -65.4(6) . .
O1A Li1 O1D Ti2 49.2(11) . .
Li3 Li1 O1D Ti2 85.0(4) . .
Li2 Li1 O1D Ti2 28.3(4) . .
Ti1 Li1 O1D Ti2 79.7(6) . .
O2F Ti2 O1D C1D 75.0(7) . .
O2D Ti2 O1D C1D 5.2(4) . .
O2E Ti2 O1D C1D -86.2(4) . .
O1F Ti2 O1D C1D 109.6(4) . .
O1E Ti2 O1D C1D -164.1(4) . .
Li1 Ti2 O1D C1D -164.6(6) . .
Li3 Ti2 O1D C1D 112.0(4) . .
Li2 Ti2 O1D C1D 167.2(4) . .
O2F Ti2 O1D Li1 -120.4(7) . .
O2D Ti2 O1D Li1 169.9(5) . .
O2E Ti2 O1D Li1 78.4(5) . .
O1F Ti2 O1D Li1 -85.8(4) . .
O1E Ti2 O1D Li1 0.5(4) . .
Li3 Ti2 O1D Li1 -83.4(5) . .
Li2 Ti2 O1D Li1 -28.2(5) . .
O2F Ti2 O2D C2D -167.2(4) . .
O2E Ti2 O2D C2D 99.7(4) . .
O1D Ti2 O2D C2D -4.7(4) . .
O1F Ti2 O2D C2D -87.5(4) . .
O1E Ti2 O2D C2D 33.9(9) . .
Li1 Ti2 O2D C2D 0.2(5) . .
Li3 Ti2 O2D C2D -58.1(5) . .
Li2 Ti2 O2D C2D -53.0(7) . .
Li1 O1D C1D C6D 10.9(9) . .
Ti2 O1D C1D C6D 175.8(5) . .
Li1 O1D C1D C2D -169.8(5) . .
Ti2 O1D C1D C2D -4.9(6) . .
Ti2 O2D C2D C3D -174.1(6) . .
Ti2 O2D C2D C1D 3.4(7) . .
O1D C1D C2D C3D 178.9(6) . .
C6D C1D C2D C3D -1.8(9) . .
O1D C1D C2D O2D 1.2(7) . .
C6D C1D C2D O2D -179.5(5) . .
O2D C2D C3D C4D -179.4(6) . .
C1D C2D C3D C4D 3.2(11) . .
C2D C3D C4D C5D -3.5(11) . .
C3D C4D C5D C6D 2.3(11) . .
O1D C1D C6D C5D 179.8(6) . .
C2D C1D C6D C5D 0.6(9) . .
O1D C1D C6D C7D -0.4(9) . .
C2D C1D C6D C7D -179.6(5) . .
C4D C5D C6D C1D -0.8(10) . .
C4D C5D C6D C7D 179.3(6) . .
C1D C6D C7D O8D 0.3(9) . .
C5D C6D C7D O8D -179.9(6) . .
C1D C6D C7D O9D -179.4(5) . .
C5D C6D C7D O9D 0.4(8) . .
O9D C7D O8D Li1 167.9(6) . .
C6D C7D O8D Li1 -11.8(10) . .
O8A Li1 O8D C7D -93.4(7) . .
O1D Li1 O8D C7D 17.2(8) . .
O1A Li1 O8D C7D 166.0(5) . .
Li3 Li1 O8D C7D 76.9(6) . .
Li2 Li1 O8D C7D 107.0(10) . .
Ti2 Li1 O8D C7D 16.9(9) . .
Ti1 Li1 O8D C7D 138.5(5) . .
O8D C7D O9D C10D 6.7(8) . .
C6D C7D O9D C10D -173.5(5) . .
C7D O9D C10D C15D -67.3(7) . .
C7D O9D C10D C11D 176.7(5) . .
O9D C10D C11D C19D -68.4(9) . .
C15D C10D C11D C19D 168.4(8) . .
O9D C10D C11D C16D 160.9(6) . .
C15D C10D C11D C16D 37.8(7) . .
O9D C10D C11D C12D 57.1(7) . .
C15D C10D C11D C12D -66.1(7) . .
C19D C11D C12D C13D -163.5(7) . .
C16D C11D C12D C13D -32.7(7) . .
C10D C11D C12D C13D 71.1(7) . .
C11D C12D C13D C14D -2.2(8) . .
C12D C13D C14D C16D 37.6(8) . .
C12D C13D C14D C15D -71.9(8) . .
C13D C14D C15D C10D 77.5(8) . .
C16D C14D C15D C10D -31.4(8) . .
O9D C10D C15D C14D -122.9(6) . .
C11D C10D C15D C14D -4.5(7) . .
C13D C14D C16D C11D -57.3(7) . .
C15D C14D C16D C11D 53.7(7) . .
C13D C14D C16D C17D -175.5(7) . .
C15D C14D C16D C17D -64.5(9) . .
C13D C14D C16D C18D 61.2(9) . .
C15D C14D C16D C18D 172.1(7) . .
C19D C11D C16D C14D 179.6(7) . .
C10D C11D C16D C14D -54.7(6) . .
C12D C11D C16D C14D 53.5(7) . .
C19D C11D C16D C17D -65.9(11) . .
C10D C11D C16D C17D 59.8(9) . .
C12D C11D C16D C17D 168.0(8) . .
C19D C11D C16D C18D 60.2(10) . .
C10D C11D C16D C18D -174.1(7) . .
C12D C11D C16D C18D -65.9(8) . .
O8E Li2 O1E C1E -17.4(6) . .
O8B Li2 O1E C1E 91.2(6) . .
O1B Li2 O1E C1E -145.7(8) . .
Li3 Li2 O1E C1E -172.1(4) . .
Li1 Li2 O1E C1E -117.4(5) . .
Ti1 Li2 O1E C1E -118.1(5) . .
Ti2 Li2 O1E C1E 160.5(6) . .
O8E Li2 O1E Ti2 -177.9(3) . .
O8B Li2 O1E Ti2 -69.3(6) . .
O1B Li2 O1E Ti2 53.8(10) . .
Li3 Li2 O1E Ti2 27.4(4) . .
Li1 Li2 O1E Ti2 82.1(3) . .
Ti1 Li2 O1E Ti2 81.4(5) . .
O2F Ti2 O1E C1E -81.3(4) . .
O2D Ti2 O1E C1E 77.1(7) . .
O2E Ti2 O1E C1E 9.2(4) . .
O1D Ti2 O1E C1E 115.1(4) . .
O1F Ti2 O1E C1E -159.3(4) . .
Li1 Ti2 O1E C1E 115.3(4) . .
Li3 Ti2 O1E C1E 171.3(4) . .
Li2 Ti2 O1E C1E -161.9(6) . .
O2F Ti2 O1E Li2 80.7(4) . .
O2D Ti2 O1E Li2 -121.0(7) . .
O2E Ti2 O1E Li2 171.2(4) . .
O1D Ti2 O1E Li2 -83.0(4) . .
O1F Ti2 O1E Li2 2.7(4) . .
Li1 Ti2 O1E Li2 -82.7(4) . .
Li3 Ti2 O1E Li2 -26.7(4) . .
O2F Ti2 O2E C2E 91.8(5) . .
O2D Ti2 O2E C2E -174.5(4) . .
O1D Ti2 O2E C2E -94.1(4) . .
O1F Ti2 O2E C2E 28.0(8) . .
O1E Ti2 O2E C2E -10.4(4) . .
Li1 Ti2 O2E C2E -66.5(5) . .
Li3 Ti2 O2E C2E -56.5(7) . .
Li2 Ti2 O2E C2E -6.0(5) . .
Li2 O1E C1E C6E 10.4(9) . .
Ti2 O1E C1E C6E 172.2(5) . .
Li2 O1E C1E C2E -168.5(5) . .
Ti2 O1E C1E C2E -6.7(6) . .
Ti2 O2E C2E C3E -170.8(6) . .
Ti2 O2E C2E C1E 9.8(7) . .
O1E C1E C2E C3E 179.1(6) . .
C6E C1E C2E C3E 0.1(10) . .
O1E C1E C2E O2E -1.5(8) . .
C6E C1E C2E O2E 179.5(5) . .
O2E C2E C3E C4E -179.3(7) . .
C1E C2E C3E C4E 0.0(12) . .
C2E C3E C4E C5E -0.8(13) . .
C3E C4E C5E C6E 1.5(13) . .
O1E C1E C6E C5E -178.3(6) . .
C2E C1E C6E C5E 0.5(9) . .
O1E C1E C6E C7E 1.9(9) . .
C2E C1E C6E C7E -179.3(5) . .
C4E C5E C6E C1E -1.3(11) . .
C4E C5E C6E C7E 178.4(7) . .
C1E C6E C7E O8E -0.4(9) . .
C5E C6E C7E O8E 179.8(6) . .
C1E C6E C7E O9E 178.8(5) . .
C5E C6E C7E O9E -1.0(8) . .
O9E C7E O8E Li2 166.5(5) . .
C6E C7E O8E Li2 -14.3(9) . .
O8B Li2 O8E C7E -92.5(6) . .
O1E Li2 O8E C7E 20.2(7) . .
O1B Li2 O8E C7E 169.8(5) . .
Li3 Li2 O8E C7E 109.7(10) . .
Li1 Li2 O8E C7E 79.6(6) . .
Ti1 Li2 O8E C7E 140.6(5) . .
Ti2 Li2 O8E C7E 19.0(8) . .
O8E C7E O9E C10E 4.1(8) . .
C6E C7E O9E C10E -175.2(5) . .
C7E O9E C10E C15E -69.2(7) . .
C7E O9E C10E C11E 175.7(5) . .
O9E C10E C11E C19E -72.1(8) . .
C15E C10E C11E C19E 165.8(7) . .
O9E C10E C11E C12E 56.8(6) . .
C15E C10E C11E C12E -65.3(6) . .
O9E C10E C11E C16E 161.8(5) . .
C15E C10E C11E C16E 39.7(7) . .
C10E C11E C12E C13E 70.2(7) . .
C19E C11E C12E C13E -160.5(6) . .
C16E C11E C12E C13E -34.1(7) . .
C11E C12E C13E C14E -0.4(7) . .
C12E C13E C14E C15E -71.5(7) . .
C12E C13E C14E C16E 36.7(7) . .
O9E C10E C15E C14E -123.9(6) . .
C11E C10E C15E C14E -5.6(7) . .
C13E C14E C15E C10E 77.4(7) . .
C16E C14E C15E C10E -32.0(8) . .
C13E C14E C16E C18E 61.2(9) . .
C15E C14E C16E C18E 171.3(8) . .
C13E C14E C16E C17E -174.0(7) . .
C15E C14E C16E C17E -63.9(8) . .
C13E C14E C16E C11E -56.0(7) . .
C15E C14E C16E C11E 54.1(7) . .
C10E C11E C16E C14E -57.0(6) . .
C19E C11E C16E C14E 178.1(7) . .
C12E C11E C16E C14E 53.4(6) . .
C10E C11E C16E C18E -174.9(7) . .
C19E C11E C16E C18E 60.2(10) . .
C12E C11E C16E C18E -64.5(8) . .
C10E C11E C16E C17E 61.2(8) . .
C19E C11E C16E C17E -63.7(9) . .
C12E C11E C16E C17E 171.6(7) . .
O1C Li3 O1F C1F -144.0(9) . .
O8C Li3 O1F C1F 89.7(6) . .
O8F Li3 O1F C1F -14.4(7) . .
Li1 Li3 O1F C1F -171.7(4) . .
Li2 Li3 O1F C1F -113.5(5) . .
Ti1 Li3 O1F C1F -116.6(5) . .
Ti2 Li3 O1F C1F 163.5(7) . .
O1C Li3 O1F Ti2 52.6(11) . .
O8C Li3 O1F Ti2 -73.7(5) . .
O8F Li3 O1F Ti2 -177.9(3) . .
Li1 Li3 O1F Ti2 24.9(4) . .
Li2 Li3 O1F Ti2 83.0(3) . .
Ti1 Li3 O1F Ti2 80.0(5) . .
O2F Ti2 O1F C1F 8.2(4) . .
O2D Ti2 O1F C1F -82.9(4) . .
O2E Ti2 O1F C1F 74.1(7) . .
O1D Ti2 O1F C1F -161.1(4) . .
O1E Ti2 O1F C1F 111.8(4) . .
Li1 Ti2 O1F C1F 170.9(4) . .
Li3 Ti2 O1F C1F -165.1(6) . .
Li2 Ti2 O1F C1F 113.3(4) . .
O2F Ti2 O1F Li3 173.3(4) . .
O2D Ti2 O1F Li3 82.3(4) . .
O2E Ti2 O1F Li3 -120.8(6) . .
O1D Ti2 O1F Li3 4.0(4) . .
O1E Ti2 O1F Li3 -83.1(4) . .
Li1 Ti2 O1F Li3 -24.0(4) . .
Li2 Ti2 O1F Li3 -81.6(4) . .
O2D Ti2 O2F C2F 94.3(4) . .
O2E Ti2 O2F C2F -171.4(4) . .
O1D Ti2 O2F C2F 26.8(8) . .
O1F Ti2 O2F C2F -8.5(4) . .
O1E Ti2 O2F C2F -91.9(4) . .
Li1 Ti2 O2F C2F -55.1(8) . .
Li3 Ti2 O2F C2F -5.0(5) . .
Li2 Ti2 O2F C2F -63.4(4) . .
Li3 O1F C1F C6F 7.9(9) . .
Ti2 O1F C1F C6F 172.3(5) . .
Li3 O1F C1F C2F -171.0(5) . .
Ti2 O1F C1F C2F -6.7(6) . .
Ti2 O2F C2F C3F -170.2(6) . .
Ti2 O2F C2F C1F 7.4(7) . .
O1F C1F C2F C3F 177.7(6) . .
C6F C1F C2F C3F -1.4(9) . .
O1F C1F C2F O2F 0.0(7) . .
C6F C1F C2F O2F -179.0(5) . .
O2F C2F C3F C4F 179.1(7) . .
C1F C2F C3F C4F 1.7(11) . .
C2F C3F C4F C5F -0.3(12) . .
C3F C4F C5F C6F -1.3(12) . .
O1F C1F C6F C5F -179.2(6) . .
C2F C1F C6F C5F -0.3(9) . .
O1F C1F C6F C7F 1.5(9) . .
C2F C1F C6F C7F -179.6(5) . .
C4F C5F C6F C1F 1.6(10) . .
C4F C5F C6F C7F -179.0(7) . .
C1F C6F C7F O8F 2.6(9) . .
C5F C6F C7F O8F -176.7(6) . .
C1F C6F C7F O9F -178.6(5) . .
C5F C6F C7F O9F 2.1(8) . .
O9F C7F O8F Li3 165.3(5) . .
C6F C7F O8F Li3 -16.0(9) . .
O1C Li3 O8F C7F 170.3(5) . .
O8C Li3 O8F C7F -91.9(6) . .
O1F Li3 O8F C7F 19.0(7) . .
Li1 Li3 O8F C7F 109.5(13) . .
Li2 Li3 O8F C7F 79.1(6) . .
Ti1 Li3 O8F C7F 140.8(5) . .
Ti2 Li3 O8F C7F 17.7(8) . .
O8F C7F O9F C10F 5.0(8) . .
C6F C7F O9F C10F -173.9(5) . .
C7F O9F C10F C11F 176.9(5) . .
C7F O9F C10F C15F -66.4(7) . .
O9F C10F C11F C19F -70.5(9) . .
C15F C10F C11F C19F 166.6(8) . .
O9F C10F C11F C12F 57.3(8) . .
C15F C10F C11F C12F -65.6(8) . .
O9F C10F C11F C16F 160.4(6) . .
C15F C10F C11F C16F 37.6(7) . .
C19F C11F C12F C13F -164.1(7) . .
C10F C11F C12F C13F 69.7(8) . .
C16F C11F C12F C13F -33.4(8) . .
C11F C12F C13F C14F 0.2(9) . .
C12F C13F C14F C16F 36.4(9) . .
C12F C13F C14F C15F -74.1(9) . .
O9F C10F C15F C14F -123.4(6) . .
C11F C10F C15F C14F -5.0(8) . .
C16F C14F C15F C10F -32.1(8) . .
C13F C14F C15F C10F 79.3(8) . .
C13F C14F C16F C17F -175.2(7) . .
C15F C14F C16F C17F -63.9(9) . .
C13F C14F C16F C18F 60.1(10) . .
C15F C14F C16F C18F 171.5(7) . .
C13F C14F C16F C11F -57.1(8) . .
C15F C14F C16F C11F 54.2(7) . .
C19F C11F C16F C14F -179.2(8) . .
C10F C11F C16F C14F -55.6(7) . .
C12F C11F C16F C14F 53.4(7) . .
C19F C11F C16F C17F -60.5(11) . .
C10F C11F C16F C17F 63.1(9) . .
C12F C11F C16F C17F 172.1(8) . .
C19F C11F C16F C18F 61.9(11) . .
C10F C11F C16F C18F -174.5(8) . .
C12F C11F C16F C18F -65.5(9) . .
O8G Li5 Ti3 O2G -105.1(5) . 3_565
O8H Li5 Ti3 O2G 11.9(4) . 3_565
O1G Li5 Ti3 O2G -104.4(4) . 3_565
O1H Li5 Ti3 O2G 107.1(5) . 3_565
Li5 Li5 Ti3 O2G 174.6(3) 2_665 3_565
Li5 Li5 Ti3 O2G 104.5(3) 3_565 3_565
Ti4 Li5 Ti3 O2G 139.6(3) . 3_565
O8G Li5 Ti3 O2G 136.5(5) . 2_665
O8H Li5 Ti3 O2G -106.4(6) . 2_665
O1G Li5 Ti3 O2G 137.2(5) . 2_665
O1H Li5 Ti3 O2G -11.3(9) . 2_665
Li5 Li5 Ti3 O2G 56.3(7) 2_665 2_665
Li5 Li5 Ti3 O2G -13.8(7) 3_565 2_665
Ti4 Li5 Ti3 O2G 21.2(7) . 2_665
O8G Li5 Ti3 O2G -9.9(6) . .
O8H Li5 Ti3 O2G 107.2(4) . .
O1G Li5 Ti3 O2G -9.2(5) . .
O1H Li5 Ti3 O2G -157.7(4) . .
Li5 Li5 Ti3 O2G -90.1(3) 2_665 .
Li5 Li5 Ti3 O2G -160.2(3) 3_565 .
Ti4 Li5 Ti3 O2G -125.2(3) . .
O8G Li5 Ti3 O1G -176.6(6) . 3_565
O8H Li5 Ti3 O1G -59.5(3) . 3_565
O1G Li5 Ti3 O1G -175.9(5) . 3_565
O1H Li5 Ti3 O1G 35.6(4) . 3_565
Li5 Li5 Ti3 O1G 103.2(3) 2_665 3_565
Li5 Li5 Ti3 O1G 33.1(3) 3_565 3_565
Ti4 Li5 Ti3 O1G 68.2(3) . 3_565
O8G Li5 Ti3 O1G -0.7(3) . .
O8H Li5 Ti3 O1G 116.4(6) . .
O1H Li5 Ti3 O1G -148.5(8) . .
Li5 Li5 Ti3 O1G -80.9(6) 2_665 .
Li5 Li5 Ti3 O1G -151.0(5) 3_565 .
Ti4 Li5 Ti3 O1G -116.0(6) . .
O8G Li5 Ti3 O1G 93.6(5) . 2_665
O8H Li5 Ti3 O1G -149.4(4) . 2_665
O1G Li5 Ti3 O1G 94.3(4) . 2_665
O1H Li5 Ti3 O1G -54.2(5) . 2_665
Li5 Li5 Ti3 O1G 13.3(3) 2_665 2_665
Li5 Li5 Ti3 O1G -56.8(3) 3_565 2_665
Ti4 Li5 Ti3 O1G -21.7(3) . 2_665
O8G Li5 Ti3 Li5 150.3(6) . 3_565
O8H Li5 Ti3 Li5 -92.6(6) . 3_565
O1G Li5 Ti3 Li5 151.0(5) . 3_565
O1H Li5 Ti3 Li5 2.5(3) . 3_565
Li5 Li5 Ti3 Li5 70.07(11) 2_665 3_565
Ti4 Li5 Ti3 Li5 35.03(6) . 3_565
O8G Li5 Ti3 Li5 80.2(7) . 2_665
O8H Li5 Ti3 Li5 -162.7(5) . 2_665
O1G Li5 Ti3 Li5 80.9(6) . 2_665
O1H Li5 Ti3 Li5 -67.6(3) . 2_665
Li5 Li5 Ti3 Li5 -70.07(12) 3_565 2_665
Ti4 Li5 Ti3 Li5 -35.03(6) . 2_665
O8G Li5 Ti4 O2H 106.4(4) . .
O8H Li5 Ti4 O2H -10.7(6) . .
O1G Li5 Ti4 O2H -154.0(5) . .
O1H Li5 Ti4 O2H -9.9(5) . .
Li5 Li5 Ti4 O2H -157.3(3) 2_665 .
Li5 Li5 Ti4 O2H -87.4(3) 3_565 .
Ti3 Li5 Ti4 O2H -122.4(3) . .
O8G Li5 Ti4 O2H 10.7(4) . 2_665
O8H Li5 Ti4 O2H -106.5(5) . 2_665
O1G Li5 Ti4 O2H 110.2(5) . 2_665
O1H Li5 Ti4 O2H -105.6(4) . 2_665
Li5 Li5 Ti4 O2H 106.9(3) 2_665 2_665
Li5 Li5 Ti4 O2H 176.8(3) 3_565 2_665
Ti3 Li5 Ti4 O2H 141.9(3) . 2_665
O8G Li5 Ti4 O2H -103.9(6) . 3_565
O8H Li5 Ti4 O2H 138.9(5) . 3_565
O1G Li5 Ti4 O2H -4.4(10) . 3_565
O1H Li5 Ti4 O2H 139.8(5) . 3_565
Li5 Li5 Ti4 O2H -7.7(7) 2_665 3_565
Li5 Li5 Ti4 O2H 62.2(7) 3_565 3_565
Ti3 Li5 Ti4 O2H 27.3(7) . 3_565
O8G Li5 Ti4 O1H 116.3(6) . .
O8H Li5 Ti4 O1H -0.9(3) . .
O1G Li5 Ti4 O1H -144.1(8) . .
Li5 Li5 Ti4 O1H -147.4(5) 2_665 .
Li5 Li5 Ti4 O1H -77.6(6) 3_565 .
Ti3 Li5 Ti4 O1H -112.5(5) . .
O8G Li5 Ti4 O1H -150.6(4) . 3_565
O8H Li5 Ti4 O1H 92.2(5) . 3_565
O1G Li5 Ti4 O1H -51.1(5) . 3_565
O1H Li5 Ti4 O1H 93.1(4) . 3_565
Li5 Li5 Ti4 O1H -54.4(3) 2_665 3_565
Li5 Li5 Ti4 O1H 15.5(3) 3_565 3_565
Ti3 Li5 Ti4 O1H -19.4(3) . 3_565
O8G Li5 Ti4 O1H -61.1(4) . 2_665
O8H Li5 Ti4 O1H -178.2(7) . 2_665
O1G Li5 Ti4 O1H 38.5(4) . 2_665
O1H Li5 Ti4 O1H -177.4(5) . 2_665
Li5 Li5 Ti4 O1H 35.2(3) 2_665 2_665
Li5 Li5 Ti4 O1H 105.1(3) 3_565 2_665
Ti3 Li5 Ti4 O1H 70.1(3) . 2_665
O8G Li5 Ti4 Li5 -166.1(5) . 3_565
O8H Li5 Ti4 Li5 76.7(7) . 3_565
O1G Li5 Ti4 Li5 -66.6(3) . 3_565
O1H Li5 Ti4 Li5 77.6(6) . 3_565
Li5 Li5 Ti4 Li5 -69.88(11) 2_665 3_565
Ti3 Li5 Ti4 Li5 -34.94(5) . 3_565
O8G Li5 Ti4 Li5 -96.2(6) . 2_665
O8H Li5 Ti4 Li5 146.6(6) . 2_665
O1G Li5 Ti4 Li5 3.3(4) . 2_665
O1H Li5 Ti4 Li5 147.4(5) . 2_665
Li5 Li5 Ti4 Li5 69.88(11) 3_565 2_665
Ti3 Li5 Ti4 Li5 34.94(6) . 2_665
O8G Li5 O1G C1G -18.1(7) . .
O8H Li5 O1G C1G 93.0(6) . .
O1H Li5 O1G C1G -148.6(9) . .
Li5 Li5 O1G C1G -115.9(4) 2_665 .
Li5 Li5 O1G C1G -172.5(4) 3_565 .
Ti3 Li5 O1G C1G 162.5(7) . .
Ti4 Li5 O1G C1G -119.2(5) . .
O8G Li5 O1G Ti3 179.4(3) . .
O8H Li5 O1G Ti3 -69.5(6) . .
O1H Li5 O1G Ti3 48.9(11) . .
Li5 Li5 O1G Ti3 81.6(4) 2_665 .
Li5 Li5 O1G Ti3 25.0(4) 3_565 .
Ti4 Li5 O1G Ti3 78.3(5) . .
O2G Ti3 O1G C1G -82.1(4) 3_565 .
O2G Ti3 O1G C1G 71.8(7) 2_665 .
O2G Ti3 O1G C1G 7.6(4) . .
O1G Ti3 O1G C1G -159.9(4) 3_565 .
O1G Ti3 O1G C1G 113.0(4) 2_665 .
Li5 Ti3 O1G C1G -163.5(6) . .
Li5 Ti3 O1G C1G 171.9(4) 3_565 .
Li5 Ti3 O1G C1G 115.0(4) 2_665 .
O2G Ti3 O1G Li5 81.4(5) 3_565 .
O2G Ti3 O1G Li5 -124.7(6) 2_665 .
O2G Ti3 O1G Li5 171.1(5) . .
O1G Ti3 O1G Li5 3.5(4) 3_565 .
O1G Ti3 O1G Li5 -83.5(4) 2_665 .
Li5 Ti3 O1G Li5 -24.6(5) 3_565 .
Li5 Ti3 O1G Li5 -81.5(6) 2_665 .
O2G Ti3 O2G C2G 96.4(5) 3_565 .
O2G Ti3 O2G C2G -171.1(4) 2_665 .
O1G Ti3 O2G C2G 34.2(8) 3_565 .
O1G Ti3 O2G C2G -7.9(4) . .
O1G Ti3 O2G C2G -91.7(4) 2_665 .
Li5 Ti3 O2G C2G -3.5(5) . .
Li5 Ti3 O2G C2G -51.6(7) 3_565 .
Li5 Ti3 O2G C2G -63.5(4) 2_665 .
Li5 O1G C1G C6G 10.3(9) . .
Ti3 O1G C1G C6G 174.0(5) . .
Li5 O1G C1G C2G -169.6(5) . .
Ti3 O1G C1G C2G -6.0(6) . .
Ti3 O2G C2G C3G -170.4(5) . .
Ti3 O2G C2G C1G 7.0(6) . .
O1G C1G C2G C3G 177.2(5) . .
C6G C1G C2G C3G -2.7(9) . .
O1G C1G C2G O2G -0.3(7) . .
C6G C1G C2G O2G 179.7(5) . .
O2G C2G C3G C4G 179.4(6) . .
C1G C2G C3G C4G 2.1(10) . .
C2G C3G C4G C5G 0.1(11) . .
C3G C4G C5G C6G -1.8(11) . .
O1G C1G C6G C5G -178.9(6) . .
C2G C1G C6G C5G 1.1(9) . .
O1G C1G C6G C7G 3.0(10) . .
C2G C1G C6G C7G -177.1(5) . .
C4G C5G C6G C1G 1.1(10) . .
C4G C5G C6G C7G 179.3(7) . .
C1G C6G C7G O8G -1.5(10) . .
C5G C6G C7G O8G -179.7(6) . .
C1G C6G C7G O9G 178.9(6) . .
C5G C6G C7G O9G 0.7(9) . .
O9G C7G O8G Li5 165.5(6) . .
C6G C7G O8G Li5 -14.0(10) . .
O8H Li5 O8G C7G -89.4(7) . .
O1G Li5 O8G C7G 21.2(8) . .
O1H Li5 O8G C7G 172.1(6) . .
Li5 Li5 O8G C7G 81.8(6) 2_665 .
Li5 Li5 O8G C7G 114.3(10) 3_565 .
Ti3 Li5 O8G C7G 21.5(9) . .
Ti4 Li5 O8G C7G 143.3(6) . .
O8G C7G O9G C10G 6.9(9) . .
C6G C7G O9G C10G -173.5(5) . .
C7G O9G C10G C15G -69.1(8) . .
C7G O9G C10G C11G 177.7(5) . .
O9G C10G C11G C12G 54.2(8) . .
C15G C10G C11G C12G -66.0(8) . .
O9G C10G C11G C19G -73.1(8) . .
C15G C10G C11G C19G 166.7(7) . .
O9G C10G C11G C16G 159.3(6) . .
C15G C10G C11G C16G 39.0(7) . .
C19G C11G C12G C13G -164.4(8) . .
C16G C11G C12G C13G -33.7(9) . .
C10G C11G C12G C13G 70.4(8) . .
C11G C12G C13G C14G -0.6(10) . .
C12G C13G C14G C16G 36.2(9) . .
C12G C13G C14G C15G -72.2(10) . .
O9G C10G C15G C14G -120.2(7) . .
C11G C10G C15G C14G -5.2(7) . .
C16G C14G C15G C10G -32.0(8) . .
C13G C14G C15G C10G 74.6(8) . .
C13G C14G C16G C18G 60.9(11) . .
C15G C14G C16G C18G 170.6(9) . .
C13G C14G C16G C17G -171.7(7) . .
C15G C14G C16G C17G -62.0(9) . .
C13G C14G C16G C11G -54.6(7) . .
C15G C14G C16G C11G 55.1(8) . .
C12G C11G C16G C14G 54.1(8) . .
C19G C11G C16G C14G -178.4(8) . .
C10G C11G C16G C14G -56.7(7) . .
C12G C11G C16G C18G -65.3(10) . .
C19G C11G C16G C18G 62.2(11) . .
C10G C11G C16G C18G -176.1(8) . .
C12G C11G C16G C17G 171.4(9) . .
C19G C11G C16G C17G -61.1(13) . .
C10G C11G C16G C17G 60.6(10) . .
O8G Li5 O1H C1H 90.8(6) . .
O8H Li5 O1H C1H -19.4(7) . .
O1G Li5 O1H C1H -142.5(9) . .
Li5 Li5 O1H C1H -170.7(5) 2_665 .
Li5 Li5 O1H C1H -114.4(5) 3_565 .
Ti3 Li5 O1H C1H -117.0(5) . .
Ti4 Li5 O1H C1H 161.3(7) . .
O8G Li5 O1H Ti4 -70.5(6) . .
O8H Li5 O1H Ti4 179.3(3) . .
O1G Li5 O1H Ti4 56.2(11) . .
Li5 Li5 O1H Ti4 28.1(4) 2_665 .
Li5 Li5 O1H Ti4 84.3(4) 3_565 .
Ti3 Li5 O1H Ti4 81.8(5) . .
O2H Ti4 O1H C1H 7.6(4) . .
O2H Ti4 O1H C1H -82.9(4) 2_665 .
O2H Ti4 O1H C1H 73.9(7) 3_565 .
O1H Ti4 O1H C1H 112.7(4) 3_565 .
O1H Ti4 O1H C1H -160.6(4) 2_665 .
Li5 Ti4 O1H C1H 114.0(5) 3_565 .
Li5 Ti4 O1H C1H -162.8(6) . .
Li5 Ti4 O1H C1H 169.8(4) 2_665 .
O2H Ti4 O1H Li5 170.4(4) . .
O2H Ti4 O1H Li5 80.0(4) 2_665 .
O2H Ti4 O1H Li5 -123.2(6) 3_565 .
O1H Ti4 O1H Li5 -84.5(4) 3_565 .
O1H Ti4 O1H Li5 2.2(4) 2_665 .
Li5 Ti4 O1H Li5 -83.2(6) 3_565 .
Li5 Ti4 O1H Li5 -27.4(5) 2_665 .
O2H Ti4 O2H C2H 96.8(5) 2_665 .
O2H Ti4 O2H C2H -169.9(4) 3_565 .
O1H Ti4 O2H C2H -7.0(4) . .
O1H Ti4 O2H C2H -90.5(4) 3_565 .
O1H Ti4 O2H C2H 32.6(8) 2_665 .
Li5 Ti4 O2H C2H -61.1(4) 3_565 .
Li5 Ti4 O2H C2H -2.0(5) . .
Li5 Ti4 O2H C2H -54.5(7) 2_665 .
Li5 O1H C1H C6H 12.7(9) . .
Ti4 O1H C1H C6H 174.9(5) . .
Li5 O1H C1H C2H -169.1(5) . .
Ti4 O1H C1H C2H -6.9(6) . .
Ti4 O2H C2H C3H -173.0(5) . .
Ti4 O2H C2H C1H 5.4(7) . .
O1H C1H C2H O2H 1.3(8) . .
C6H C1H C2H O2H 179.6(5) . .
O1H C1H C2H C3H 179.8(6) . .
C6H C1H C2H C3H -1.9(9) . .
O2H C2H C3H C4H -178.4(6) . .
C1H C2H C3H C4H 3.2(10) . .
C2H C3H C4H C5H -3.3(11) . .
C3H C4H C5H C6H 2.1(11) . .
O1H C1H C6H C5H 178.7(6) . .
C2H C1H C6H C5H 0.6(9) . .
O1H C1H C6H C7H -0.1(10) . .
C2H C1H C6H C7H -178.2(6) . .
C4H C5H C6H C1H -0.7(10) . .
C4H C5H C6H C7H 178.1(6) . .
C1H C6H C7H O8H 1.9(10) . .
C5H C6H C7H O8H -176.9(6) . .
C1H C6H C7H O9H 179.7(5) . .
C5H C6H C7H O9H 0.9(9) . .
O9H C7H O8H Li5 164.8(6) . .
C6H C7H O8H Li5 -17.5(10) . .
O8G Li5 O8H C7H -88.3(7) . .
O1G Li5 O8H C7H 170.5(6) . .
O1H Li5 O8H C7H 22.6(8) . .
Li5 Li5 O8H C7H 109.9(9) 2_665 .
Li5 Li5 O8H C7H 81.6(6) 3_565 .
Ti3 Li5 O8H C7H 142.5(5) . .
Ti4 Li5 O8H C7H 23.1(9) . .
O8H C7H O9H C10H 6.0(9) . .
C6H C7H O9H C10H -171.9(5) . .
C7H O9H C10H C11H 176.3(6) . .
C7H O9H C10H C15H -67.5(7) . .
O9H C10H C11H C19H -69.9(8) . .
C15H C10H C11H C19H 167.0(7) . .
O9H C10H C11H C12H 56.4(9) . .
C15H C10H C11H C12H -66.7(8) . .
O9H C10H C11H C16H 163.9(6) . .
C15H C10H C11H C16H 40.8(8) . .
C10H C11H C12H C13H 73.9(9) . .
C19H C11H C12H C13H -159.4(8) . .
C16H C11H C12H C13H -32.1(9) . .
C11H C12H C13H C14H -3.9(11) . .
C12H C13H C14H C15H -67.6(11) . .
C12H C13H C14H C16H 39.5(10) . .
C16H C14H C15H C10H -29.6(8) . .
C13H C14H C15H C10H 75.8(10) . .
O9H C10H C15H C14H -126.3(6) . .
C11H C10H C15H C14H -7.4(8) . .
C15H C14H C16H C17H -67.8(9) . .
C13H C14H C16H C17H -176.6(7) . .
C15H C14H C16H C18H 169.8(7) . .
C13H C14H C16H C18H 61.0(10) . .
C15H C14H C16H C11H 52.1(7) . .
C13H C14H C16H C11H -56.6(8) . .
C10H C11H C16H C17H 61.8(9) . .
C19H C11H C16H C17H -61.9(10) . .
C12H C11H C16H C17H 173.6(8) . .
C10H C11H C16H C14H -56.7(7) . .
C19H C11H C16H C14H 179.5(7) . .
C12H C11H C16H C14H 55.0(7) . .
C10H C11H C16H C18H -175.8(9) . .
C19H C11H C16H C18H 60.4(12) . .
C12H C11H C16H C18H -64.1(11) . .
O101 C102 N103 C105 -7(2) . .
O101 C102 N103 C104 -179.3(14) . .
O111 Li6 O111 C112 25.5(15) 3_565 .
O111 Li6 O111 C112 -94.3(9) 2_665 .
Li6 O111 C112 N113 -166.4(9) . .
O111 C112 N113 C115 -0.6(15) . .
O111 C112 N113 C114 -177.9(9) . .
O121 C122 N123 C125 -15(4) . .
O121 C122 N123 C124 152(3) . .
O131 C132 N133 C135 -150(3) . .
O131 C132 N133 C134 32(6) . .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.072 1950 117 ' '
2 -0.003 0.516 1.005 38 2 ' '
3 0.007 0.648 0.258 51 3 ' '
4 -0.026 0.659 0.925 51 3 ' '
5 0.019 0.693 0.592 51 3 ' '
6 0.333 0.667 0.739 1951 118 ' '
7 0.130 0.423 -0.004 26 1 ' '
8 0.151 0.814 0.339 38 2 ' '
9 0.186 0.336 0.339 38 2 ' '
10 0.244 0.040 0.330 26 1 ' '
11 0.307 0.326 0.592 51 3 ' '
12 0.293 0.870 0.996 26 1 ' '
13 0.330 0.183 0.672 38 2 ' '
14 0.340 0.315 0.925 51 3 ' '
15 0.352 0.359 0.258 51 3 ' '
16 0.667 0.333 0.406 1955 118 ' '
17 0.463 0.090 0.663 26 1 ' '
18 0.484 0.481 0.005 38 2 ' '
19 0.519 1.003 0.005 38 2 ' '
20 0.577 0.707 0.996 26 1 ' '
21 0.641 0.993 0.258 51 3 ' '
22 0.626 0.537 0.663 26 1 ' '
23 0.664 0.849 0.339 38 2 ' '
24 0.674 0.981 0.592 52 3 ' '
25 0.685 0.026 0.925 51 3 ' '
26 0.796 0.756 0.330 26 1 ' '
27 0.817 0.148 0.672 38 2 ' '
28 0.852 0.670 0.672 38 2 ' '
29 0.910 0.374 0.663 26 1 ' '
30 0.960 0.204 0.330 26 1 ' '
