#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:25:09 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179376 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/73/4327304.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_4327304
loop_
_publ_author_name
'Anne Dolbecq'
'Laurent Lisnard'
'Pierre Mialane'
'Jérôme Marrot'
'Marc Bénard'
'Marie-Madeleine Rohmer'
'Francis Sécheresse'
_publ_section_title
;
 Synthesis and Characterization of Octa- and Hexanuclear Polyoxomolybdate
 Wheels: Role of the Inorganic Template and of the Counterion
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5898
_journal_page_last               5910
_journal_paper_doi               10.1021/ic060410+
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C4 H62 Cl Li9 Mo6 N2 O62 P8'
_chemical_formula_weight         2051.87
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                101.4010(10)
_cell_angle_beta                 104.1010(10)
_cell_angle_gamma                108.7990(10)
_cell_formula_units_Z            2
_cell_length_a                   13.7096(2)
_cell_length_b                   14.2642(2)
_cell_length_c                   17.4993(3)
_cell_measurement_temperature    273(2)
_cell_volume                     2996.41(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.864
_diffrn_measured_fraction_theta_max 0.864
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0336
_diffrn_reflns_av_sigmaI/netI    0.0786
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            20672
_diffrn_reflns_theta_full        29.71
_diffrn_reflns_theta_max         29.71
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    1.610
_exptl_absorpt_correction_T_max  0.9384
_exptl_absorpt_correction_T_min  0.8556
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.274
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             2024
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.812
_refine_diff_density_min         -0.972
_refine_diff_density_rms         0.189
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     817
_refine_ls_number_reflns         14721
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0944
_refine_ls_R_factor_gt           0.0614
_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)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1543
_refine_ls_wR_factor_ref         0.1792
_reflns_number_gt                10812
_reflns_number_total             14721
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0604102Bsi20060310_054443_8.cif
_cod_data_source_block           3d
_cod_original_cell_volume        2996.41(8)
_cod_database_code               4327304
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Mo1 Mo 0.89420(5) 0.58083(5) 0.21155(4) 0.01734(14) Uani 1 1 d .
Mo2 Mo 1.41750(5) 0.50358(5) 0.26360(4) 0.01951(14) Uani 1 1 d .
Mo3 Mo 1.04604(5) 0.74909(5) 0.21896(4) 0.01693(14) Uani 1 1 d .
Mo4 Mo 1.00054(5) 0.36120(5) 0.16853(4) 0.01662(14) Uani 1 1 d .
Mo5 Mo 1.26771(5) 0.33936(5) 0.26518(4) 0.01937(14) Uani 1 1 d .
Mo6 Mo 1.27189(5) 0.66248(5) 0.17658(4) 0.01612(13) Uani 1 1 d .
P1 P 0.73718(14) 0.32985(15) 0.10508(11) 0.0176(4) Uani 1 1 d .
P2 P 1.51540(15) 0.67618(15) 0.16820(11) 0.0189(4) Uani 1 1 d .
P3 P 0.83790(15) 0.38039(15) 0.28860(11) 0.0192(4) Uani 1 1 d .
P4 P 1.60219(15) 0.75413(15) 0.35779(11) 0.0201(4) Uani 1 1 d .
P5 P 1.02575(15) 0.13577(14) 0.16843(11) 0.0177(4) Uani 1 1 d .
P6 P 1.21603(15) 0.85899(15) 0.12375(11) 0.0190(4) Uani 1 1 d .
P7 P 1.09622(15) 0.21663(15) 0.36012(11) 0.0204(4) Uani 1 1 d .
P8 P 1.31421(14) 0.89663(14) 0.30569(11) 0.0184(4) Uani 1 1 d .
O1 O 1.2967(4) 0.3898(4) 0.1748(3) 0.0217(11) Uani 1 1 d .
O2 O 0.9370(4) 0.6324(4) 0.1247(3) 0.0212(10) Uani 1 1 d .
O3 O 1.1019(4) 0.8112(4) 0.1319(3) 0.0219(11) Uani 1 1 d .
O4 O 1.4661(4) 0.5630(4) 0.1697(3) 0.0241(11) Uani 1 1 d .
O5 O 0.7769(4) 0.4479(4) 0.1167(3) 0.0210(10) Uani 1 1 d .
O6 O 1.1433(4) 0.2008(4) 0.1746(3) 0.0208(10) Uani 1 1 d .
O7 O 1.3509(4) 0.4746(4) 0.3475(3) 0.0235(11) Uani 1 1 d .
O8 O 1.1187(4) 0.1752(4) 0.4326(3) 0.0232(11) Uani 1 1 d .
O9 O 1.3558(4) 0.8102(4) 0.2831(3) 0.0205(10) Uani 1 1 d .
O10 O 1.0285(4) 0.6747(4) 0.3005(3) 0.0205(10) Uani 1 1 d .
O11 O 1.1999(4) 0.2944(4) 0.3555(3) 0.0278(12) Uani 1 1 d .
O12 O 0.9890(4) 0.4829(4) 0.1882(3) 0.0210(10) Uani 1 1 d .
O13 O 0.9777(4) 0.0342(4) 0.1009(3) 0.0238(11) Uani 1 1 d .
O14 O 1.5227(4) 0.6486(5) 0.3528(3) 0.0320(13) Uani 1 1 d .
O15 O 0.6294(4) 0.2713(4) 0.0336(3) 0.0214(11) Uani 1 1 d .
O16 O 1.2658(4) 0.7763(4) 0.1119(3) 0.0180(10) Uani 1 1 d .
O17 O 1.5578(4) 0.6849(5) 0.0962(3) 0.0299(13) Uani 1 1 d .
O18 O 0.8698(4) 0.4964(4) 0.2958(3) 0.0213(10) Uani 1 1 d .
O19 O 1.1524(4) 0.6650(4) 0.1954(3) 0.0206(10) Uani 1 1 d .
O20 O 1.3213(4) 0.5985(4) 0.2452(3) 0.0218(11) Uani 1 1 d .
O21 O 0.8259(4) 0.2892(4) 0.0958(3) 0.0199(10) Uani 1 1 d .
O22 O 0.8001(4) 0.6294(4) 0.2244(3) 0.0277(12) Uani 1 1 d .
O23 O 0.9829(4) 0.8323(4) 0.2371(3) 0.0250(11) Uani 1 1 d .
O24 O 1.1280(4) 0.3857(4) 0.2439(3) 0.0204(10) Uani 1 1 d .
O25 O 1.4306(4) 0.7264(4) 0.1671(3) 0.0216(11) Uani 1 1 d .
O26 O 0.9532(4) 0.1985(4) 0.1554(3) 0.0229(11) Uani 1 1 d .
O27 O 1.5193(5) 0.4601(5) 0.2782(4) 0.0390(15) Uani 1 1 d .
O28 O 0.9260(4) 0.3445(4) 0.2692(3) 0.0212(11) Uani 1 1 d .
O29 O 1.3480(5) 0.2719(4) 0.2836(4) 0.0333(13) Uani 1 1 d .
O30 O 1.0310(4) 0.3476(4) 0.0788(3) 0.0247(11) Uani 1 1 d .
O31 O 1.1977(4) 0.8501(4) 0.3096(3) 0.0225(11) Uani 1 1 d .
O32 O 1.2120(5) 0.9095(4) 0.0561(3) 0.0282(12) Uani 1 1 d .
O33 O 1.2239(4) 0.5699(4) 0.0829(3) 0.0264(12) Uani 1 1 d .
O34 O 0.8169(4) 0.3599(4) 0.3658(3) 0.0279(12) Uani 1 1 d .
O35 O 1.7074(4) 0.7922(4) 0.4275(3) 0.0272(12) Uani 1 1 d .
O36 O 1.0129(5) 0.2672(5) 0.3699(4) 0.0346(14) Uani 1 1 d D
H36 H 0.990(10) 0.290(10) 0.328(6) 0.10(5) Uiso 1 1 d D
O37 O 1.3907(4) 0.9804(4) 0.3858(3) 0.0262(12) Uani 1 1 d .
O38 O 1.5494(5) 0.8356(5) 0.3718(4) 0.0332(14) Uani 1 1 d D
H38 H 1.538(12) 0.885(9) 0.351(9) 0.12(6) Uiso 1 1 d D
C1 C 1.0312(6) 0.1088(6) 0.2655(4) 0.0235(15) Uani 1 1 d .
H1A H 1.0685 0.0617 0.2700 0.028 Uiso 1 1 calc R
H1B H 0.9568 0.0718 0.2628 0.028 Uiso 1 1 calc R
C2 C 1.3034(6) 0.9543(6) 0.2220(4) 0.0226(15) Uani 1 1 d .
H2A H 1.2745 1.0073 0.2335 0.027 Uiso 1 1 calc R
H2B H 1.3757 0.9876 0.2190 0.027 Uiso 1 1 calc R
C3 C 0.7152(6) 0.3109(6) 0.1989(4) 0.0244(16) Uani 1 1 d .
H3A H 0.6898 0.2373 0.1936 0.029 Uiso 1 1 calc R
H3B H 0.6584 0.3343 0.2073 0.029 Uiso 1 1 calc R
C4 C 1.6286(6) 0.7473(6) 0.2620(4) 0.0233(15) Uani 1 1 d .
H4A H 1.6825 0.7167 0.2623 0.028 Uiso 1 1 calc R
H4B H 1.6617 0.8177 0.2604 0.028 Uiso 1 1 calc R
Li1 Li 1.7654(12) 0.8765(11) 0.5389(8) 0.029(3) Uani 1 1 d .
Li2 Li 1.1853(10) 0.8587(11) -0.0589(8) 0.027(3) Uani 1 1 d .
Li3 Li 0.6056(10) 0.2060(10) -0.0811(8) 0.024(3) Uani 1 1 d .
Li4 Li 1.4844(14) 0.6664(15) -0.0155(9) 0.047(4) Uani 1 1 d .
Li5 Li 1.8349(14) 0.7549(13) 0.4451(9) 0.045(4) Uani 1 1 d .
Li6 Li 0.8453(14) -0.0907(13) 0.0575(9) 0.047(4) Uani 1 1 d .
Li7 Li 1.074(3) 0.587(3) 0.524(2) 0.055(9) Uiso 0.50 1 d P
Li8 Li 1.0000 0.0000 0.0000 0.113(14) Uiso 1 2 d S
Li9 Li 1.203(3) 0.804(3) 0.573(2) 0.052(9) Uiso 0.50 1 d P
Li10 Li 1.439(6) 0.541(6) 0.473(5) 0.050(17) Uiso 0.25 1 d P
Li11 Li 1.404(4) 0.694(4) 0.640(3) 0.073(12) Uiso 0.50 1 d P
Li12 Li 1.408(4) 0.696(4) 0.484(3) 0.060(13) Uiso 0.50 1 d P
Li13 Li 1.719(9) 0.796(8) 0.126(6) 0.07(3) Uiso 0.25 1 d P
Cl Cl 1.7308(3) 1.0181(3) 0.2589(2) 0.0787(10) Uani 1 1 d .
OW1 O 0.9380(5) 0.8250(6) 0.0145(4) 0.0462(17) Uani 1 1 d .
OW2 O 1.3390(6) 1.1512(5) 0.4039(4) 0.0491(18) Uani 1 1 d .
OW3 O 1.3989(8) 0.4193(9) 0.5032(6) 0.107(4) Uani 1 1 d .
OW4 O 1.2231(6) 1.1029(5) 0.0622(4) 0.0419(16) Uani 1 1 d .
OW5 O 0.4992(5) 0.0654(5) -0.1189(4) 0.0471(17) Uani 1 1 d .
OW6 O 1.1835(6) 0.9769(5) 0.4499(4) 0.0454(16) Uani 1 1 d .
OW7 O 0.9084(7) 0.0301(10) 0.4203(6) 0.114(5) Uani 1 1 d .
OW8 O 1.7786(6) 0.8126(6) 0.1145(4) 0.0503(19) Uani 1 1 d .
OW9 O 1.6170(8) 1.0599(8) 0.4582(6) 0.090(3) Uani 1 1 d .
OW10 O 1.4167(8) 0.2948(8) 0.0797(5) 0.077(3) Uani 1 1 d .
OW11 O 0.7772(8) 0.5982(6) 0.4006(6) 0.074(3) Uani 1 1 d .
OW12 O 1.2721(6) 0.9859(7) -0.0774(5) 0.069(2) Uani 1 1 d .
OW13 O 1.2524(8) 0.3934(7) 0.0065(5) 0.080(3) Uani 1 1 d .
OW14 O 0.5907(6) 0.4859(6) 0.0691(5) 0.082(3) Uani 1 1 d .
OW15 O 0.9249(6) 0.8336(8) 0.3939(5) 0.087(3) Uani 1 1 d .
OW16 O 1.1857(8) 0.5885(7) 0.3595(5) 0.077(3) Uani 1 1 d .
OW17 O 1.0852(17) 0.7049(14) 0.4774(9) 0.078(6) Uani 0.50 1 d P
OW18 O 1.3965(12) 0.7386(16) 0.4717(11) 0.061(5) Uani 0.50 1 d P
OW19 O 1.1159(17) 0.4872(12) 0.4748(10) 0.068(6) Uani 0.50 1 d P
OW20 O 0.6483(15) 0.1731(15) 0.3420(11) 0.087(6) Uani 0.50 1 d P
OW21 O 1.4781(9) 0.1828(11) 0.2178(7) 0.045(4) Uani 0.50 1 d P
OW22 O 1.3839(18) 0.634(2) 0.6022(15) 0.093(6) Uiso 0.50 1 d P
OW23 O 1.069(2) 0.498(3) 0.481(2) 0.039(8) Uiso 0.25 1 d P
OW24 O 1.416(4) 0.615(4) 0.561(3) 0.102(14) Uiso 0.25 1 d P
N1 N 0.4707(5) 0.0960(5) 0.0596(4) 0.0298(15) Uani 1 1 d .
N2 N 1.0000 0.5000 0.0000 0.034(2) Uani 1 2 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 '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'
Cl Cl 0.1484 0.1585 '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'
H H 0.0000 0.0000 '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
O22 Mo1 O2 103.2(2) . .
O22 Mo1 O10 104.7(2) . .
O2 Mo1 O10 95.3(2) . .
O22 Mo1 O18 92.7(2) . .
O2 Mo1 O18 163.56(19) . .
O10 Mo1 O18 84.8(2) . .
O22 Mo1 O5 92.6(2) . .
O2 Mo1 O5 86.7(2) . .
O10 Mo1 O5 161.49(19) . .
O18 Mo1 O5 88.1(2) . .
O22 Mo1 O12 167.4(2) . .
O2 Mo1 O12 83.52(19) . .
O10 Mo1 O12 84.95(19) . .
O18 Mo1 O12 80.11(18) . .
O5 Mo1 O12 76.99(18) . .
O22 Mo1 Mo3 98.70(19) . .
O2 Mo1 Mo3 48.90(15) . .
O10 Mo1 Mo3 48.80(14) . .
O18 Mo1 Mo3 133.61(14) . .
O5 Mo1 Mo3 135.57(14) . .
O12 Mo1 Mo3 93.70(13) . .
O27 Mo2 O1 103.7(3) . .
O27 Mo2 O7 105.5(3) . .
O1 Mo2 O7 93.1(2) . .
O27 Mo2 O14 90.8(3) . .
O1 Mo2 O14 165.2(2) . .
O7 Mo2 O14 86.1(2) . .
O27 Mo2 O4 89.8(3) . .
O1 Mo2 O4 87.3(2) . .
O7 Mo2 O4 164.0(2) . .
O14 Mo2 O4 89.4(2) . .
O27 Mo2 O20 164.1(3) . .
O1 Mo2 O20 87.3(2) . .
O7 Mo2 O20 84.97(19) . .
O14 Mo2 O20 77.9(2) . .
O4 Mo2 O20 79.11(18) . .
O27 Mo2 Mo5 96.9(2) . .
O1 Mo2 Mo5 48.17(15) . .
O7 Mo2 Mo5 48.41(15) . .
O14 Mo2 Mo5 134.34(15) . .
O4 Mo2 Mo5 135.34(14) . .
O20 Mo2 Mo5 98.95(14) . .
O23 Mo3 O10 103.1(2) . .
O23 Mo3 O2 104.5(2) . .
O10 Mo3 O2 94.8(2) . .
O23 Mo3 O3 93.5(2) . .
O10 Mo3 O3 162.53(19) . .
O2 Mo3 O3 86.2(2) . .
O23 Mo3 O31 94.3(2) . .
O10 Mo3 O31 85.1(2) . .
O2 Mo3 O31 160.66(19) . .
O3 Mo3 O31 88.2(2) . .
O23 Mo3 O19 169.8(2) . .
O10 Mo3 O19 83.92(19) . .
O2 Mo3 O19 81.95(19) . .
O3 Mo3 O19 78.95(18) . .
O31 Mo3 O19 78.81(19) . .
O23 Mo3 Mo1 98.47(18) . .
O10 Mo3 Mo1 48.61(15) . .
O2 Mo3 Mo1 48.56(15) . .
O3 Mo3 Mo1 134.74(15) . .
O31 Mo3 Mo1 133.60(14) . .
O19 Mo3 Mo1 91.69(13) . .
O30 Mo4 O12 104.0(2) . .
O30 Mo4 O24 102.3(2) . .
O12 Mo4 O24 103.6(2) . .
O30 Mo4 O26 92.2(2) . .
O12 Mo4 O26 156.5(2) . .
O24 Mo4 O26 89.1(2) . .
O30 Mo4 O21 89.5(2) . .
O12 Mo4 O21 88.5(2) . .
O24 Mo4 O21 160.3(2) . .
O26 Mo4 O21 74.52(18) . .
O30 Mo4 O28 166.5(2) . .
O12 Mo4 O28 83.1(2) . .
O24 Mo4 O28 86.8(2) . .
O26 Mo4 O28 77.90(19) . .
O21 Mo4 O28 79.10(18) . .
O30 Mo4 Li2 79.5(3) . 2_765
O12 Mo4 Li2 127.6(3) . 2_765
O24 Mo4 Li2 127.1(3) . 2_765
O26 Mo4 Li2 38.4(3) . 2_765
O21 Mo4 Li2 39.2(3) . 2_765
O28 Mo4 Li2 87.1(3) . 2_765
O29 Mo5 O1 105.0(3) . .
O29 Mo5 O7 103.9(2) . .
O1 Mo5 O7 93.8(2) . .
O29 Mo5 O11 89.5(2) . .
O1 Mo5 O11 165.0(2) . .
O7 Mo5 O11 86.4(2) . .
O29 Mo5 O6 88.9(2) . .
O1 Mo5 O6 87.8(2) . .
O7 Mo5 O6 166.1(2) . .
O11 Mo5 O6 88.5(2) . .
O29 Mo5 O24 163.0(2) . .
O1 Mo5 O24 87.04(19) . .
O7 Mo5 O24 86.9(2) . .
O11 Mo5 O24 77.96(19) . .
O6 Mo5 O24 79.43(18) . .
O29 Mo5 Mo2 96.6(2) . .
O1 Mo5 Mo2 48.67(14) . .
O7 Mo5 Mo2 48.66(15) . .
O11 Mo5 Mo2 134.81(15) . .
O6 Mo5 Mo2 136.12(14) . .
O24 Mo5 Mo2 100.35(14) . .
O33 Mo6 O19 103.5(2) . .
O33 Mo6 O20 102.0(2) . .
O19 Mo6 O20 104.1(2) . .
O33 Mo6 O25 92.3(2) . .
O19 Mo6 O25 156.2(2) . .
O20 Mo6 O25 89.6(2) . .
O33 Mo6 O16 88.6(2) . .
O19 Mo6 O16 87.9(2) . .
O20 Mo6 O16 161.4(2) . .
O25 Mo6 O16 74.63(18) . .
O33 Mo6 O9 165.6(2) . .
O19 Mo6 O9 84.1(2) . .
O20 Mo6 O9 87.7(2) . .
O25 Mo6 O9 76.89(18) . .
O16 Mo6 O9 79.39(18) . .
O33 Mo6 Li3 80.9(3) . 2_765
O19 Mo6 Li3 125.4(3) . 2_765
O20 Mo6 Li3 128.6(3) . 2_765
O25 Mo6 Li3 39.2(3) . 2_765
O16 Mo6 Li3 37.5(2) . 2_765
O9 Mo6 Li3 84.7(3) . 2_765
O15 P1 O21 113.0(3) . .
O15 P1 O5 110.5(3) . .
O21 P1 O5 111.4(3) . .
O15 P1 C3 108.9(3) . .
O21 P1 C3 105.7(3) . .
O5 P1 C3 107.0(3) . .
O15 P1 Li4 34.7(4) . 2_765
O21 P1 Li4 145.4(3) . 2_765
O5 P1 Li4 82.4(4) . 2_765
C3 P1 Li4 99.7(4) . 2_765
O17 P2 O4 112.9(3) . .
O17 P2 O25 110.5(3) . .
O4 P2 O25 110.2(3) . .
O17 P2 C4 107.9(3) . .
O4 P2 C4 107.5(3) . .
O25 P2 C4 107.7(3) . .
O17 P2 Li3 76.7(3) . 2_765
O4 P2 Li3 127.1(3) . 2_765
O25 P2 Li3 33.9(3) . 2_765
C4 P2 Li3 118.9(4) . 2_765
O17 P2 Li4 27.3(4) . .
O4 P2 Li4 106.7(4) . .
O25 P2 Li4 89.5(3) . .
C4 P2 Li4 132.9(4) . .
Li3 P2 Li4 57.8(3) 2_765 .
O34 P3 O28 112.7(3) . .
O34 P3 O18 110.5(3) . .
O28 P3 O18 110.0(3) . .
O34 P3 C3 110.8(3) . .
O28 P3 C3 106.3(3) . .
O18 P3 C3 106.2(3) . .
O34 P3 Li7 31.0(7) . 2_766
O28 P3 Li7 94.7(7) . 2_766
O18 P3 Li7 95.6(8) . 2_766
C3 P3 Li7 141.8(8) . 2_766
O35 P4 O14 112.8(3) . .
O35 P4 O38 107.5(3) . .
O14 P4 O38 109.2(3) . .
O35 P4 C4 109.8(3) . .
O14 P4 C4 109.3(4) . .
O38 P4 C4 108.1(4) . .
O13 P5 O6 111.6(3) . .
O13 P5 O26 110.8(3) . .
O6 P5 O26 110.2(3) . .
O13 P5 C1 108.4(3) . .
O6 P5 C1 107.7(3) . .
O26 P5 C1 107.8(3) . .
O13 P5 Li8 27.56(19) . .
O6 P5 Li8 87.9(2) . .
O26 P5 Li8 108.9(2) . .
C1 P5 Li8 131.5(3) . .
O13 P5 Li2 76.9(3) . 2_765
O6 P5 Li2 125.8(3) . 2_765
O26 P5 Li2 33.9(3) . 2_765
C1 P5 Li2 120.2(3) . 2_765
Li8 P5 Li2 79.1(3) . 2_765
O32 P6 O16 112.1(3) . .
O32 P6 O3 111.5(3) . .
O16 P6 O3 110.4(3) . .
O32 P6 C2 110.2(3) . .
O16 P6 C2 105.7(3) . .
O3 P6 C2 106.6(3) . .
O32 P6 Li3 89.0(3) . 2_765
O16 P6 Li3 30.9(3) . 2_765
O3 P6 Li3 140.5(3) . 2_765
C2 P6 Li3 96.4(3) . 2_765
O8 P7 O11 112.4(3) . .
O8 P7 O36 106.6(3) . .
O11 P7 O36 111.3(3) . .
O8 P7 C1 109.0(3) . .
O11 P7 C1 109.5(3) . .
O36 P7 C1 107.9(3) . .
O8 P7 Li1 32.0(3) . 2_866
O11 P7 Li1 89.7(3) . 2_866
O36 P7 Li1 137.8(3) . 2_866
C1 P7 Li1 97.9(4) . 2_866
O37 P8 O9 112.4(3) . .
O37 P8 O31 110.9(3) . .
O9 P8 O31 110.5(3) . .
O37 P8 C2 109.2(3) . .
O9 P8 C2 107.4(3) . .
O31 P8 C2 106.4(3) . .
Mo5 O1 Mo2 83.16(19) . .
Mo1 O2 Mo3 82.54(19) . .
P6 O3 Mo3 134.0(3) . .
P2 O4 Mo2 130.2(3) . .
P1 O5 Mo1 134.3(3) . .
P5 O6 Mo5 132.1(3) . .
Mo5 O7 Mo2 82.9(2) . .
Mo5 O7 Li10 141(2) . .
Mo2 O7 Li10 122(2) . .
P7 O8 Li1 124.0(5) . 2_866
P7 O8 Li5 130.8(6) . 2_866
Li1 O8 Li5 85.7(6) 2_866 2_866
P8 O9 Mo6 128.0(3) . .
Mo1 O10 Mo3 82.59(19) . .
P7 O11 Mo5 139.2(3) . .
Mo4 O12 Mo1 150.9(3) . .
P5 O13 Li8 130.5(3) . .
P5 O13 Li6 138.1(6) . .
Li8 O13 Li6 88.0(5) . .
P4 O14 Mo2 139.6(3) . .
P1 O15 Li3 128.8(5) . .
P1 O15 Li4 119.9(6) . 2_765
Li3 O15 Li4 98.1(6) . 2_765
P6 O16 Li3 124.8(5) . 2_765
P6 O16 Mo6 129.7(3) . .
Li3 O16 Mo6 99.1(4) 2_765 .
P2 O17 Li4 131.0(6) . .
P2 O17 Li13 116(3) . .
Li4 O17 Li13 106(3) . .
P3 O18 Mo1 132.9(3) . .
Mo6 O19 Mo3 150.8(3) . .
Mo6 O20 Mo2 143.7(3) . .
P1 O21 Li2 129.7(5) . 2_765
P1 O21 Mo4 127.5(3) . .
Li2 O21 Mo4 97.6(4) 2_765 .
Mo4 O24 Mo5 142.9(3) . .
P2 O25 Li3 120.4(4) . 2_765
P2 O25 Mo6 128.3(3) . .
Li3 O25 Mo6 98.1(4) 2_765 .
P5 O26 Li2 120.6(5) . 2_765
P5 O26 Mo4 129.1(3) . .
Li2 O26 Mo4 99.9(4) 2_765 .
P3 O28 Mo4 129.9(3) . .
P8 O31 Mo3 132.6(3) . .
P6 O32 Li2 132.9(5) . .
P3 O34 Li7 125.7(12) . 2_766
P4 O35 Li1 136.6(5) . .
P4 O35 Li5 133.5(5) . .
Li1 O35 Li5 89.2(6) . .
P7 O36 H36 114(8) . .
P4 O38 H38 140(10) . .
P5 C1 P7 118.7(4) . .
P5 C1 H1A 107.6 . .
P7 C1 H1A 107.6 . .
P5 C1 H1B 107.6 . .
P7 C1 H1B 107.6 . .
H1A C1 H1B 107.1 . .
P6 C2 P8 112.0(4) . .
P6 C2 H2A 109.2 . .
P8 C2 H2A 109.2 . .
P6 C2 H2B 109.2 . .
P8 C2 H2B 109.2 . .
H2A C2 H2B 107.9 . .
P1 C3 P3 112.5(4) . .
P1 C3 H3A 109.1 . .
P3 C3 H3A 109.1 . .
P1 C3 H3B 109.1 . .
P3 C3 H3B 109.1 . .
H3A C3 H3B 107.8 . .
P4 C4 P2 117.9(4) . .
P4 C4 H4A 107.8 . .
P2 C4 H4A 107.8 . .
P4 C4 H4B 107.8 . .
P2 C4 H4B 107.8 . .
H4A C4 H4B 107.2 . .
O35 Li1 OW2 112.5(8) . 2_876
O35 Li1 OW6 113.0(7) . 2_876
OW2 Li1 OW6 106.9(7) 2_876 2_876
O35 Li1 O8 93.7(6) . 2_866
OW2 Li1 O8 116.0(7) 2_876 2_866
OW6 Li1 O8 114.6(8) 2_876 2_866
O35 Li1 Li5 46.4(5) . .
OW2 Li1 Li5 133.6(8) 2_876 .
OW6 Li1 Li5 119.3(8) 2_876 .
O8 Li1 Li5 48.0(5) 2_866 .
O35 Li1 P7 108.2(6) . 2_866
OW2 Li1 P7 92.3(5) 2_876 2_866
OW6 Li1 P7 122.1(6) 2_876 2_866
O8 Li1 P7 24.1(2) 2_866 2_866
Li5 Li1 P7 67.3(5) . 2_866
O32 Li2 OW12 99.7(7) . .
O32 Li2 O26 131.0(7) . 2_765
OW12 Li2 O26 102.9(6) . 2_765
O32 Li2 O21 113.5(7) . 2_765
OW12 Li2 O21 131.5(8) . 2_765
O26 Li2 O21 81.4(5) 2_765 2_765
O32 Li2 P5 113.7(6) . 2_765
OW12 Li2 P5 90.0(5) . 2_765
O26 Li2 P5 25.5(2) 2_765 2_765
O21 Li2 P5 106.4(5) 2_765 2_765
O32 Li2 Mo4 121.6(6) . 2_765
OW12 Li2 Mo4 137.2(6) . 2_765
O26 Li2 Mo4 41.7(3) 2_765 2_765
O21 Li2 Mo4 43.2(3) 2_765 2_765
P5 Li2 Mo4 64.4(2) 2_765 2_765
O32 Li2 Li6 82.3(5) . 2_765
OW12 Li2 Li6 46.9(5) . 2_765
O26 Li2 Li6 82.4(5) 2_765 2_765
O21 Li2 Li6 162.5(6) 2_765 2_765
P5 Li2 Li6 58.5(3) 2_765 2_765
Mo4 Li2 Li6 122.9(5) 2_765 2_765
OW5 Li3 O16 114.8(7) . 2_765
OW5 Li3 O15 111.0(7) . .
O16 Li3 O15 116.3(7) 2_765 .
OW5 Li3 O25 107.8(6) . 2_765
O16 Li3 O25 83.5(5) 2_765 2_765
O15 Li3 O25 120.9(7) . 2_765
OW5 Li3 Li4 106.1(7) . 2_765
O16 Li3 Li4 139.1(7) 2_765 2_765
O15 Li3 Li4 42.0(4) . 2_765
O25 Li3 Li4 85.5(5) 2_765 2_765
OW5 Li3 P6 93.4(5) . 2_765
O16 Li3 P6 24.4(2) 2_765 2_765
O15 Li3 P6 118.4(5) . 2_765
O25 Li3 P6 101.5(5) 2_765 2_765
Li4 Li3 P6 156.2(6) 2_765 2_765
OW5 Li3 P2 103.9(5) . 2_765
O16 Li3 P2 107.8(5) 2_765 2_765
O15 Li3 P2 101.3(5) . 2_765
O25 Li3 P2 25.7(2) 2_765 2_765
Li4 Li3 P2 61.6(4) 2_765 2_765
P6 Li3 P2 127.2(4) 2_765 2_765
OW5 Li3 Mo6 130.3(6) . 2_765
O16 Li3 Mo6 43.3(3) 2_765 2_765
O15 Li3 Mo6 118.6(6) . 2_765
O25 Li3 Mo6 42.7(3) 2_765 2_765
Li4 Li3 Mo6 108.4(6) 2_765 2_765
P6 Li3 Mo6 65.9(3) 2_765 2_765
P2 Li3 Mo6 64.9(3) 2_765 2_765
O17 Li4 OW10 113.8(9) . 2_865
O17 Li4 OW14 106.1(9) . 2_765
OW10 Li4 OW14 101.3(8) 2_865 2_765
O17 Li4 O15 115.0(7) . 2_765
OW10 Li4 O15 111.5(9) 2_865 2_765
OW14 Li4 O15 107.9(8) 2_765 2_765
O17 Li4 Li3 75.2(5) . 2_765
OW10 Li4 Li3 130.2(9) 2_865 2_765
OW14 Li4 Li3 124.0(9) 2_765 2_765
O15 Li4 Li3 39.8(4) 2_765 2_765
O17 Li4 P1 133.0(7) . 2_765
OW10 Li4 P1 108.5(7) 2_865 2_765
OW14 Li4 P1 84.2(6) 2_765 2_765
O15 Li4 P1 25.5(3) 2_765 2_765
Li3 Li4 P1 62.0(4) 2_765 2_765
O17 Li4 P2 21.7(3) . .
OW10 Li4 P2 135.2(7) 2_865 .
OW14 Li4 P2 100.3(8) 2_765 .
O15 Li4 P2 98.3(6) 2_765 .
Li3 Li4 P2 60.6(4) 2_765 .
P1 Li4 P2 112.3(5) 2_765 .
O17 Li4 Li13 39.4(19) . .
OW10 Li4 Li13 77(2) 2_865 .
OW14 Li4 Li13 128.9(19) 2_765 .
O15 Li4 Li13 120(2) 2_765 .
Li3 Li4 Li13 88.2(19) 2_765 .
P1 Li4 Li13 145.7(19) 2_765 .
P2 Li4 Li13 59.1(19) . .
OW15 Li5 O35 105.4(9) 1_655 .
OW15 Li5 O8 112.1(9) 1_655 2_866
O35 Li5 O8 89.9(7) . 2_866
OW15 Li5 OW11 117.3(8) 1_655 1_655
O35 Li5 OW11 106.7(9) . 1_655
O8 Li5 OW11 120.2(9) 2_866 1_655
OW15 Li5 Li1 110.5(8) 1_655 .
O35 Li5 Li1 44.4(4) . .
O8 Li5 Li1 46.2(4) 2_866 .
OW11 Li5 Li1 130.0(9) 1_655 .
O13 Li6 OW8 129.7(8) . 1_445
O13 Li6 OW4 106.3(8) . 2_765
OW8 Li6 OW4 124.0(9) 1_445 2_765
O13 Li6 OW1 88.5(8) . 1_545
OW8 Li6 OW1 96.5(8) 1_445 1_545
OW4 Li6 OW1 86.6(7) 2_765 1_545
O13 Li6 OW12 91.7(7) . 2_765
OW8 Li6 OW12 92.8(8) 1_445 2_765
OW4 Li6 OW12 81.5(6) 2_765 2_765
OW1 Li6 OW12 167.7(8) 1_545 2_765
O13 Li6 Li13 134(2) . 1_445
OW8 Li6 Li13 13(2) 1_445 1_445
OW4 Li6 Li13 117(2) 2_765 1_445
OW1 Li6 Li13 108(2) 1_545 1_445
OW12 Li6 Li13 80(2) 2_765 1_445
O13 Li6 Li8 44.8(4) . .
OW8 Li6 Li8 153.5(10) 1_445 .
OW4 Li6 Li8 70.8(5) 2_765 .
OW1 Li6 Li8 60.3(5) 1_545 .
OW12 Li6 Li8 112.1(6) 2_765 .
Li13 Li6 Li8 167(2) 1_445 .
O13 Li6 Li2 63.3(5) . 2_765
OW8 Li6 Li2 124.8(8) 1_445 2_765
OW4 Li6 Li2 74.2(6) 2_765 2_765
OW1 Li6 Li2 138.5(7) 1_545 2_765
OW12 Li6 Li2 34.0(3) 2_765 2_765
Li13 Li6 Li2 113(2) 1_445 2_765
Li8 Li6 Li2 78.5(5) . 2_765
OW23 Li7 OW19 19.2(17) . .
OW23 Li7 OW23 82(3) . 2_766
OW19 Li7 OW23 101(2) . 2_766
OW23 Li7 O34 113(3) . 2_766
OW19 Li7 O34 100.0(18) . 2_766
OW23 Li7 O34 114(2) 2_766 2_766
OW23 Li7 OW17 122(3) . .
OW19 Li7 OW17 117(2) . .
OW23 Li7 OW17 116(2) 2_766 .
O34 Li7 OW17 108(2) 2_766 .
OW23 Li7 Li7 50(2) . 2_766
OW19 Li7 Li7 69(2) . 2_766
OW23 Li7 Li7 31.8(14) 2_766 2_766
O34 Li7 Li7 121(3) 2_766 2_766
OW17 Li7 Li7 129(3) . 2_766
OW23 Li7 OW19 94(3) . 2_766
OW19 Li7 OW19 112(2) . 2_766
OW23 Li7 OW19 12.1(12) 2_766 2_766
O34 Li7 OW19 112.6(18) 2_766 2_766
OW17 Li7 OW19 106.7(17) . 2_766
Li7 Li7 OW19 43.4(13) 2_766 2_766
OW23 Li7 Li9 141(3) . .
OW19 Li7 Li9 123(2) . .
OW23 Li7 Li9 136(2) 2_766 .
O34 Li7 Li9 65.9(14) 2_766 .
OW17 Li7 Li9 42.1(12) . .
Li7 Li7 Li9 166(3) 2_766 .
OW19 Li7 Li9 123.9(17) 2_766 .
OW23 Li7 P3 111(3) . 2_766
OW19 Li7 P3 105.6(16) . 2_766
OW23 Li7 P3 90.5(17) 2_766 2_766
O34 Li7 P3 23.4(6) 2_766 2_766
OW17 Li7 P3 122.0(18) . 2_766
Li7 Li7 P3 101(2) 2_766 2_766
OW19 Li7 P3 89.8(12) 2_766 2_766
Li9 Li7 P3 82.3(13) . 2_766
O13 Li8 O13 180.0 . 2_755
O13 Li8 OW1 82.4(2) . 1_545
O13 Li8 OW1 97.6(2) 2_755 1_545
O13 Li8 OW1 97.6(2) . 2_765
O13 Li8 OW1 82.4(2) 2_755 2_765
OW1 Li8 OW1 179.997(2) 1_545 2_765
O13 Li8 Li6 47.2(4) . .
O13 Li8 Li6 132.8(4) 2_755 .
OW1 Li8 Li6 50.4(4) 1_545 .
OW1 Li8 Li6 129.6(4) 2_765 .
O13 Li8 Li6 132.8(4) . 2_755
O13 Li8 Li6 47.2(4) 2_755 2_755
OW1 Li8 Li6 129.6(4) 1_545 2_755
OW1 Li8 Li6 50.4(4) 2_765 2_755
Li6 Li8 Li6 179.998(1) . 2_755
O13 Li8 P5 21.93(16) . .
O13 Li8 P5 158.07(16) 2_755 .
OW1 Li8 P5 102.55(15) 1_545 .
OW1 Li8 P5 77.45(15) 2_765 .
Li6 Li8 P5 68.3(4) . .
Li6 Li8 P5 111.7(4) 2_755 .
O13 Li8 P5 158.07(16) . 2_755
O13 Li8 P5 21.93(16) 2_755 2_755
OW1 Li8 P5 77.45(15) 1_545 2_755
OW1 Li8 P5 102.54(15) 2_765 2_755
Li6 Li8 P5 111.7(4) . 2_755
Li6 Li8 P5 68.3(4) 2_755 2_755
P5 Li8 P5 180.0 . 2_755
OW17 Li9 OW20 143(2) . 2_766
OW17 Li9 Li7 44.1(12) . .
OW20 Li9 Li7 106.1(17) 2_766 .
OW24 Li10 OW3 93(4) . .
OW24 Li10 OW3 109(4) . 2_866
OW3 Li10 OW3 102(3) . 2_866
OW24 Li10 O7 134(4) . .
OW3 Li10 O7 97(3) . .
OW3 Li10 O7 113(3) 2_866 .
OW24 Li10 Li12 53(3) . .
OW3 Li10 Li12 141(4) . .
OW3 Li10 Li12 107(3) 2_866 .
O7 Li10 Li12 95(3) . .
OW24 Li10 Li10 108(5) . 2_866
OW3 Li10 Li10 54(3) . 2_866
OW3 Li10 Li10 48(3) 2_866 2_866
O7 Li10 Li10 115(5) . 2_866
Li12 Li10 Li10 146(5) . 2_866
OW24 Li10 Li11 3(2) . .
OW3 Li10 Li11 95(3) . .
OW3 Li10 Li11 107(3) 2_866 .
O7 Li10 Li11 134(3) . .
Li12 Li10 Li11 51(2) . .
Li10 Li10 Li11 109(4) 2_866 .
OW22 Li11 OW24 26(3) . .
OW22 Li11 OW20 139(5) . 2_766
OW24 Li11 OW20 137(3) . 2_766
OW22 Li11 OW21 148(5) . 2_866
OW24 Li11 OW21 138(3) . 2_866
OW20 Li11 OW21 72.9(18) 2_766 2_866
OW22 Li11 Li12 62(4) . .
OW24 Li11 Li12 45(2) . .
OW20 Li11 Li12 93(2) 2_766 .
OW21 Li11 Li12 133(2) 2_866 .
OW22 Li11 Li10 30(3) . .
OW24 Li11 Li10 3(2) . .
OW20 Li11 Li10 135(2) 2_766 .
OW21 Li11 Li10 137(2) 2_866 .
Li12 Li11 Li10 42.2(18) . .
OW18 Li12 OW24 151(6) . .
OW18 Li12 Li10 159(6) . .
OW24 Li12 Li10 50(3) . .
OW18 Li12 OW22 130(5) . .
OW24 Li12 OW22 21.6(15) . .
Li10 Li12 OW22 71(2) . .
OW18 Li12 Li11 114(5) . .
OW24 Li12 Li11 37(2) . .
Li10 Li12 Li11 87(3) . .
OW22 Li12 Li11 18.6(12) . .
OW8 Li13 O17 148(10) . .
OW8 Li13 Li6 32(5) . 1_665
O17 Li13 Li6 141(5) . 1_665
OW8 Li13 Li4 122(8) . .
O17 Li13 Li4 34.3(16) . .
Li6 Li13 Li4 107(3) 1_665 .
Li6 OW1 Li8 69.4(5) 1_565 1_565
Li10 OW3 Li10 78(3) . 2_866
Li13 OW8 Li6 134(7) . 1_665
Li2 OW12 Li6 99.1(6) . 2_765
Li9 OW17 Li7 93.8(17) . .
OW23 OW19 Li7 36(3) . .
OW23 OW19 Li7 33(4) . 2_766
Li7 OW19 Li7 68(2) . 2_766
Li9 OW20 Li11 115.3(19) 2_766 2_766
Li11 OW22 OW24 130(6) . .
Li11 OW22 Li12 99(4) . .
OW24 OW22 Li12 48(3) . .
OW19 OW23 Li7 125(5) . .
OW19 OW23 Li7 135(5) . 2_766
Li7 OW23 Li7 98(3) . 2_766
OW22 OW24 Li11 24(3) . .
OW22 OW24 Li10 162(5) . .
Li11 OW24 Li10 173(4) . .
OW22 OW24 Li12 110(4) . .
Li11 OW24 Li12 98(3) . .
Li10 OW24 Li12 77(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O22 1.689(5) .
Mo1 O2 1.948(5) .
Mo1 O10 1.949(5) .
Mo1 O18 2.103(5) .
Mo1 O5 2.103(5) .
Mo1 O12 2.239(5) .
Mo1 Mo3 2.5760(9) .
Mo2 O27 1.686(5) .
Mo2 O1 1.951(5) .
Mo2 O7 1.952(5) .
Mo2 O14 2.121(6) .
Mo2 O4 2.140(5) .
Mo2 O20 2.189(5) .
Mo2 Mo5 2.5803(9) .
Mo3 O23 1.704(5) .
Mo3 O10 1.955(5) .
Mo3 O2 1.958(5) .
Mo3 O3 2.087(5) .
Mo3 O31 2.115(5) .
Mo3 O19 2.226(5) .
Mo4 O30 1.711(5) .
Mo4 O12 1.767(5) .
Mo4 O24 1.793(5) .
Mo4 O26 2.146(5) .
Mo4 O21 2.195(5) .
Mo4 O28 2.255(5) .
Mo4 Li2 3.178(14) 2_765
Mo5 O29 1.694(5) .
Mo5 O1 1.936(5) .
Mo5 O7 1.945(5) .
Mo5 O11 2.123(5) .
Mo5 O6 2.144(5) .
Mo5 O24 2.193(5) .
Mo6 O33 1.710(5) .
Mo6 O19 1.758(5) .
Mo6 O20 1.780(5) .
Mo6 O25 2.133(5) .
Mo6 O16 2.166(5) .
Mo6 O9 2.253(5) .
Mo6 Li3 3.116(13) 2_765
P1 O15 1.529(5) .
P1 O21 1.534(5) .
P1 O5 1.547(5) .
P1 C3 1.796(7) .
P1 Li4 3.083(14) 2_765
P2 O17 1.521(5) .
P2 O4 1.544(6) .
P2 O25 1.547(5) .
P2 C4 1.794(8) .
P2 Li3 3.078(13) 2_765
P2 Li4 3.107(16) .
P3 O34 1.511(5) .
P3 O28 1.539(5) .
P3 O18 1.539(5) .
P3 C3 1.817(7) .
P3 Li7 3.09(4) 2_766
P4 O35 1.497(5) .
P4 O14 1.518(6) .
P4 O38 1.566(6) .
P4 C4 1.790(7) .
P5 O13 1.503(5) .
P5 O6 1.543(5) .
P5 O26 1.545(5) .
P5 C1 1.804(7) .
P5 Li8 3.0591(18) .
P5 Li2 3.091(12) 2_765
P6 O32 1.501(5) .
P6 O16 1.546(5) .
P6 O3 1.547(5) .
P6 C2 1.807(7) .
P6 Li3 3.078(12) 2_765
P7 O8 1.508(5) .
P7 O11 1.527(6) .
P7 O36 1.559(6) .
P7 C1 1.815(8) .
P7 Li1 3.067(13) 2_866
P8 O37 1.519(5) .
P8 O9 1.540(5) .
P8 O31 1.544(5) .
P8 C2 1.814(7) .
O7 Li10 2.08(7) .
O8 Li1 1.958(14) 2_866
O8 Li5 2.016(16) 2_866
O13 Li8 1.862(5) .
O13 Li6 1.938(17) .
O15 Li3 1.936(13) .
O15 Li4 2.022(14) 2_765
O16 Li3 1.922(13) 2_765
O17 Li4 1.889(16) .
O17 Li13 2.13(11) .
O21 Li2 2.025(15) 2_765
O25 Li3 1.990(14) 2_765
O26 Li2 2.004(13) 2_765
O32 Li2 1.898(15) .
O34 Li7 1.96(4) 2_766
O35 Li1 1.892(15) .
O35 Li5 1.958(17) .
O36 H36 0.90(2) .
O38 H38 0.90(2) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
Li1 OW2 1.923(15) 2_876
Li1 OW6 1.931(15) 2_876
Li1 O8 1.958(14) 2_866
Li1 Li5 2.70(2) .
Li1 P7 3.067(13) 2_866
Li2 OW12 1.960(16) .
Li2 O26 2.004(13) 2_765
Li2 O21 2.025(15) 2_765
Li2 P5 3.091(12) 2_765
Li2 Mo4 3.178(14) 2_765
Li2 Li6 3.46(2) 2_765
Li3 OW5 1.926(15) .
Li3 O16 1.922(13) 2_765
Li3 O25 1.990(14) 2_765
Li3 Li4 2.991(18) 2_765
Li3 P6 3.078(12) 2_765
Li3 P2 3.078(13) 2_765
Li3 Mo6 3.116(13) 2_765
Li4 OW10 1.98(2) 2_865
Li4 OW14 1.98(2) 2_765
Li4 O15 2.022(14) 2_765
Li4 Li3 2.991(18) 2_765
Li4 P1 3.083(14) 2_765
Li4 Li13 3.22(11) .
Li5 OW15 1.91(2) 1_655
Li5 O8 2.016(16) 2_866
Li5 OW11 2.025(18) 1_655
Li6 OW8 1.977(17) 1_445
Li6 OW4 2.023(16) 2_765
Li6 OW1 2.17(2) 1_545
Li6 OW12 2.56(2) 2_765
Li6 Li13 2.64(11) 1_445
Li6 Li8 2.640(17) .
Li6 Li2 3.46(2) 2_765
Li7 OW23 1.31(5) .
Li7 OW19 1.83(4) .
Li7 OW23 1.91(5) 2_766
Li7 O34 1.96(4) 2_766
Li7 OW17 1.99(4) .
Li7 Li7 2.46(8) 2_766
Li7 OW19 2.49(4) 2_766
Li7 Li9 2.85(6) .
Li7 P3 3.09(4) 2_766
Li8 O13 1.862(5) 2_755
Li8 OW1 2.450(7) 1_545
Li8 OW1 2.450(7) 2_765
Li8 Li6 2.641(17) 2_755
Li8 P5 3.0592(18) 2_755
Li9 OW17 1.92(4) .
Li9 OW20 2.09(4) 2_766
Li10 OW24 1.85(9) .
Li10 OW3 1.86(8) .
Li10 OW3 2.02(7) 2_866
Li10 Li12 2.37(9) .
Li10 Li10 2.44(14) 2_866
Li10 Li11 3.52(9) .
Li11 OW22 0.89(5) .
Li11 OW24 1.67(7) .
Li11 OW20 2.22(6) 2_766
Li11 OW21 2.53(6) 2_866
Li11 Li12 2.74(7) .
Li12 OW18 0.74(4) .
Li12 OW24 1.95(7) .
Li12 OW22 2.45(5) .
Li13 OW8 0.85(11) .
Li13 Li6 2.64(11) 1_665
OW1 Li6 2.17(2) 1_565
OW1 Li8 2.450(7) 1_565
OW2 Li1 1.923(16) 2_876
OW3 Li10 2.02(7) 2_866
OW4 Li6 2.023(16) 2_765
OW6 Li1 1.931(15) 2_876
OW8 Li6 1.977(17) 1_665
OW10 Li4 1.98(2) 2_865
OW11 Li5 2.025(18) 1_455
OW12 Li6 2.56(2) 2_765
OW14 Li4 1.98(2) 2_765
OW15 Li5 1.91(2) 1_455
OW19 OW23 0.73(3) .
OW19 Li7 2.49(4) 2_766
OW20 Li9 2.09(4) 2_766
OW20 Li11 2.22(6) 2_766
OW21 Li11 2.53(6) 2_866
OW22 OW24 0.96(4) .
OW23 Li7 1.91(5) 2_766
