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#$Date: 2025-03-04 20:12:25 +0200 (Tue, 04 Mar 2025) $
#$Revision: 297998 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/39/7133998.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_7133998
loop_
_publ_author_name
'Ould, Darren M. C.'
'Penrod, Megan E.'
'McConnell, Jessica B.'
'Zabara, Mohammed A.'
'Berge, Astrid H.'
'O'Keefe, Christopher A'
'Bond, Andrew D.'
'Menkin, Svetlana'
'Grey, Clare P.'
'Wright, Dominic S.'
_publ_section_title
;
 Borates vs. aluminates: comparing the anion for lithium-ion
 batteries.
;
_journal_issue                   1
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              129
_journal_page_last               132
_journal_paper_doi               10.1039/d4cc04812a
_journal_volume                  61
_journal_year                    2024
_chemical_formula_moiety         'C24 H8 Al2 F48 Li2 O8'
_chemical_formula_sum            'C24 H8 Al2 F48 Li2 O8'
_chemical_formula_weight         1404.14
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2019/2
_audit_update_record
;
2024-09-09 deposited with the CCDC.	2024-11-22 downloaded from the CCDC.
;
_cell_angle_alpha                76.185(2)
_cell_angle_beta                 80.386(2)
_cell_angle_gamma                65.157(2)
_cell_formula_units_Z            1
_cell_length_a                   10.1467(3)
_cell_length_b                   10.5435(3)
_cell_length_c                   11.6900(3)
_cell_measurement_reflns_used    5512
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      67.97
_cell_measurement_theta_min      4.82
_cell_volume                     1098.90(6)
_computing_cell_refinement       'SAINT (Bruker, 2016)'
_computing_data_collection       'APEX5 (Bruker, 2023)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  SHELXL
_computing_structure_refinement  'SHELXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8-QUEST PHOTON-III'
_diffrn_measurement_method       'ω and φ-scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0548
_diffrn_reflns_av_unetI/netI     0.0388
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            18345
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.335
_diffrn_reflns_theta_min         3.905
_diffrn_source                   'Incoatec I\mS Cu microsource'
_exptl_absorpt_coefficient_mu    2.998
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.5604
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2016)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.122
_exptl_crystal_description       block
_exptl_crystal_F_000             680
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_refine_diff_density_max         0.428
_refine_diff_density_min         -0.354
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         3994
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0604
_refine_ls_R_factor_gt           0.0486
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0461P)²+1.2211P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1143
_refine_ls_wR_factor_ref         0.1224
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3276
_reflns_number_total             3994
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4cc04812a2.cif
_cod_data_source_block           DW_B1_0552
_cod_depositor_comments
'Adding full bibliography for 7133996--7133998.cif.'
_cod_database_code               7133998
_cambridge_user_name             'Darren Ould'
_cambridge_user_crsid            dmo33
_cambridge_supervisor_name       'Dominic Wright'
_cambridge_supervisor_crsid      dsw1000
_cambridge_crystallographer_name 'Andrew Bond'
_cambridge_crystallographer_crsid adb29
_cambridge_sample_id             EXP307
_cambridge_data_id               DW_B1_0552
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.754
_shelx_estimated_absorpt_t_max   0.841
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Al1 Al 0.36542(7) 0.58536(8) 0.66725(7) 0.02629(19) Uani 1 1 d . . . . .
Li1 Li 0.5925(7) 0.6172(7) 0.4776(5) 0.0546(14) Uani 1 1 d . . . . .
F1 F 0.6974(3) 0.8122(3) 0.7276(2) 0.0796(7) Uani 1 1 d . . . . .
F2 F 0.5604(4) 0.8739(3) 0.5901(3) 0.1018(10) Uani 1 1 d . . . . .
F3 F 0.7558(3) 0.6915(3) 0.5902(3) 0.1000(10) Uani 1 1 d . . . . .
F4 F 0.6831(3) 0.6017(3) 0.90514(18) 0.0682(6) Uani 1 1 d . . . . .
F5 F 0.7753(3) 0.4642(3) 0.7799(2) 0.0812(8) Uani 1 1 d . . . . .
F6 F 0.5731(3) 0.4804(3) 0.8751(2) 0.0859(8) Uani 1 1 d . . . . .
F7 F 0.3874(2) 0.8455(2) 0.42133(17) 0.0521(5) Uani 1 1 d . . . . .
F8 F 0.1833(2) 0.9536(2) 0.3424(2) 0.0641(6) Uani 1 1 d . . . . .
F9 F 0.1891(3) 0.9045(2) 0.53100(19) 0.0658(6) Uani 1 1 d . . . . .
F10 F 0.0345(2) 0.7449(3) 0.56036(19) 0.0646(6) Uani 1 1 d . . . . .
F11 F 0.1034(2) 0.5848(2) 0.4559(2) 0.0658(6) Uani 1 1 d . . . . .
F12 F 0.0107(2) 0.8039(3) 0.3742(2) 0.0765(7) Uani 1 1 d . . . . .
F13 F 0.2396(3) 0.9344(3) 0.7590(3) 0.0810(8) Uani 1 1 d . . . . .
F14 F 0.2369(3) 0.8218(3) 0.9359(3) 0.1033(10) Uani 1 1 d . . . . .
F15 F 0.0418(3) 0.9941(3) 0.8714(2) 0.0857(8) Uani 1 1 d . . . . .
F16 F 0.0787(3) 0.6550(4) 0.9887(2) 0.1172(13) Uani 1 1 d . . . . .
F17 F -0.1064(2) 0.8265(3) 0.9111(2) 0.0913(9) Uani 1 1 d . . . . .
F18 F -0.0083(3) 0.6340(3) 0.8447(3) 0.1015(10) Uani 1 1 d . . . . .
F19 F 0.1158(3) 0.4221(3) 0.7098(3) 0.0871(8) Uani 1 1 d . . . . .
F20 F 0.1755(3) 0.2182(3) 0.8214(2) 0.0842(8) Uani 1 1 d . . . . .
F21 F 0.2871(3) 0.2413(3) 0.6507(2) 0.0814(8) Uani 1 1 d . . . . .
F22 F 0.3956(3) 0.1585(3) 0.96400(19) 0.0861(8) Uani 1 1 d . . . . .
F23 F 0.5642(3) 0.2235(3) 0.8723(3) 0.1024(10) Uani 1 1 d . . . . .
F24 F 0.5025(3) 0.0914(2) 0.8037(2) 0.0815(8) Uani 1 1 d . . . . .
O1 O 0.52495(19) 0.6185(2) 0.64874(16) 0.0322(4) Uani 1 1 d . . . . .
O2 O 0.3395(2) 0.6083(2) 0.51705(16) 0.0350(4) Uani 1 1 d . . . . .
O3 O 0.2434(2) 0.6696(2) 0.76999(17) 0.0377(4) Uani 1 1 d . . . . .
O4 O 0.4025(2) 0.40258(19) 0.69811(16) 0.0346(4) Uani 1 1 d . . . . .
C1 C 0.5653(3) 0.6730(3) 0.7288(2) 0.0348(6) Uani 1 1 d . . . . .
H1A H 0.474634 0.736322 0.768842 0.042 Uiso 1 1 calc R U . . .
C2 C 0.6467(4) 0.7627(4) 0.6598(3) 0.0520(8) Uani 1 1 d . . . . .
C3 C 0.6528(4) 0.5546(4) 0.8221(3) 0.0460(7) Uani 1 1 d . . . . .
C4 C 0.2503(3) 0.7116(3) 0.4330(2) 0.0313(6) Uani 1 1 d . . . . .
H4A H 0.290820 0.686116 0.353699 0.038 Uiso 1 1 calc R U . . .
C5 C 0.2493(3) 0.8560(3) 0.4318(3) 0.0394(6) Uani 1 1 d . . . . .
C6 C 0.0972(3) 0.7128(4) 0.4558(3) 0.0445(7) Uani 1 1 d . . . . .
C7 C 0.1183(3) 0.7808(3) 0.7993(3) 0.0385(6) Uani 1 1 d . . . . .
H7A H 0.065720 0.832990 0.726096 0.046 Uiso 1 1 calc R U . . .
C8 C 0.1587(4) 0.8832(4) 0.8439(4) 0.0615(10) Uani 1 1 d . . . . .
C9 C 0.0205(4) 0.7244(5) 0.8875(3) 0.0625(10) Uani 1 1 d . . . . .
C10 C 0.3384(3) 0.3338(3) 0.7935(2) 0.0376(6) Uani 1 1 d . . . . .
H10A H 0.285700 0.400512 0.849726 0.045 Uiso 1 1 calc R U . . .
C11 C 0.2281(4) 0.3015(4) 0.7457(3) 0.0550(9) Uani 1 1 d . . . . .
C12 C 0.4515(4) 0.2002(4) 0.8587(3) 0.0521(8) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0008 0.0003 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.2130 0.2455 '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
_geom_angle_publ_flag
O3 Al1 O4 111.27(10) . . ?
O3 Al1 O2 126.82(10) . . ?
O4 Al1 O2 94.54(9) . . ?
O3 Al1 O1 111.84(10) . . ?
O4 Al1 O1 112.44(9) . . ?
O2 Al1 O1 98.49(9) . . ?
O3 Al1 Li1 139.83(14) . 2_666 ?
O4 Al1 Li1 46.44(14) . 2_666 ?
O2 Al1 Li1 48.52(14) . 2_666 ?
O1 Al1 Li1 108.09(14) . 2_666 ?
O3 Al1 Li1 142.17(13) . . ?
O4 Al1 Li1 104.82(13) . . ?
O2 Al1 Li1 58.93(14) . . ?
O1 Al1 Li1 40.47(13) . . ?
Li1 Al1 Li1 75.21(18) 2_666 . ?
O1 Li1 O4 159.1(3) . 2_666 ?
O1 Li1 O2 98.0(3) . 2_666 ?
O4 Li1 O2 74.50(19) 2_666 2_666 ?
O1 Li1 F21 127.6(3) . 2_666 ?
O4 Li1 F21 70.81(18) 2_666 2_666 ?
O2 Li1 F21 123.3(3) 2_666 2_666 ?
O1 Li1 F7 90.4(2) . . ?
O4 Li1 F7 84.0(2) 2_666 . ?
O2 Li1 F7 140.5(3) 2_666 . ?
F21 Li1 F7 77.7(2) 2_666 . ?
O1 Li1 O2 70.27(18) . . ?
O4 Li1 O2 89.2(2) 2_666 . ?
O2 Li1 O2 81.9(2) 2_666 . ?
F21 Li1 O2 139.2(3) 2_666 . ?
F7 Li1 O2 64.71(17) . . ?
O1 Li1 Al1 130.8(3) . 2_666 ?
O4 Li1 Al1 37.25(11) 2_666 2_666 ?
O2 Li1 Al1 37.55(10) 2_666 2_666 ?
F21 Li1 Al1 100.29(19) 2_666 2_666 ?
F7 Li1 Al1 112.5(2) . 2_666 ?
O2 Li1 Al1 80.92(17) . 2_666 ?
O1 Li1 Al1 34.83(11) . . ?
O4 Li1 Al1 124.3(3) 2_666 . ?
O2 Li1 Al1 85.41(19) 2_666 . ?
F21 Li1 Al1 151.2(3) 2_666 . ?
F7 Li1 Al1 79.81(18) . . ?
O2 Li1 Al1 36.02(9) . . ?
Al1 Li1 Al1 104.79(18) 2_666 . ?
C5 F7 Li1 122.0(2) . . ?
C11 F21 Li1 107.2(2) . 2_666 ?
C1 O1 Al1 124.53(16) . . ?
C1 O1 Li1 128.4(2) . . ?
Al1 O1 Li1 104.7(2) . . ?
C4 O2 Al1 137.65(17) . . ?
C4 O2 Li1 122.2(2) . 2_666 ?
Al1 O2 Li1 93.93(18) . 2_666 ?
C4 O2 Li1 108.4(2) . . ?
Al1 O2 Li1 85.06(15) . . ?
Li1 O2 Li1 98.1(2) 2_666 . ?
C7 O3 Al1 150.41(19) . . ?
C10 O4 Al1 125.30(17) . . ?
C10 O4 Li1 122.9(2) . 2_666 ?
Al1 O4 Li1 96.31(18) . 2_666 ?
O1 C1 C3 110.8(2) . . ?
O1 C1 C2 108.2(2) . . ?
C3 C1 C2 113.0(3) . . ?
O1 C1 H1A 108.3 . . ?
C3 C1 H1A 108.3 . . ?
C2 C1 H1A 108.3 . . ?
F2 C2 F1 106.4(3) . . ?
F2 C2 F3 106.1(3) . . ?
F1 C2 F3 108.6(3) . . ?
F2 C2 C1 110.6(3) . . ?
F1 C2 C1 113.1(3) . . ?
F3 C2 C1 111.7(3) . . ?
F5 C3 F4 108.0(3) . . ?
F5 C3 F6 106.7(3) . . ?
F4 C3 F6 106.9(3) . . ?
F5 C3 C1 113.9(3) . . ?
F4 C3 C1 112.8(3) . . ?
F6 C3 C1 108.1(3) . . ?
O2 C4 C5 110.6(2) . . ?
O2 C4 C6 110.0(2) . . ?
C5 C4 C6 111.9(2) . . ?
O2 C4 H4A 108.1 . . ?
C5 C4 H4A 108.1 . . ?
C6 C4 H4A 108.1 . . ?
F8 C5 F9 108.3(3) . . ?
F8 C5 F7 107.1(2) . . ?
F9 C5 F7 105.8(2) . . ?
F8 C5 C4 112.8(2) . . ?
F9 C5 C4 113.2(2) . . ?
F7 C5 C4 109.2(2) . . ?
F12 C6 F11 107.7(3) . . ?
F12 C6 F10 107.9(3) . . ?
F11 C6 F10 106.7(3) . . ?
F12 C6 C4 112.1(3) . . ?
F11 C6 C4 109.7(3) . . ?
F10 C6 C4 112.4(2) . . ?
O3 C7 C9 110.0(3) . . ?
O3 C7 C8 109.4(2) . . ?
C9 C7 C8 112.8(3) . . ?
O3 C7 H7A 108.2 . . ?
C9 C7 H7A 108.2 . . ?
C8 C7 H7A 108.2 . . ?
F14 C8 F15 108.7(3) . . ?
F14 C8 F13 106.6(4) . . ?
F15 C8 F13 107.1(3) . . ?
F14 C8 C7 112.8(3) . . ?
F15 C8 C7 111.9(3) . . ?
F13 C8 C7 109.5(3) . . ?
F16 C9 F17 107.7(3) . . ?
F16 C9 F18 106.7(4) . . ?
F17 C9 F18 106.6(3) . . ?
F16 C9 C7 113.3(3) . . ?
F17 C9 C7 112.2(3) . . ?
F18 C9 C7 109.9(3) . . ?
O4 C10 C11 107.7(2) . . ?
O4 C10 C12 111.7(2) . . ?
C11 C10 C12 111.8(3) . . ?
O4 C10 H10A 108.5 . . ?
C11 C10 H10A 108.5 . . ?
C12 C10 H10A 108.5 . . ?
F20 C11 F19 107.3(3) . . ?
F20 C11 F21 107.9(3) . . ?
F19 C11 F21 106.4(3) . . ?
F20 C11 C10 114.5(3) . . ?
F19 C11 C10 110.0(3) . . ?
F21 C11 C10 110.4(3) . . ?
F23 C12 F24 106.2(3) . . ?
F23 C12 F22 108.8(3) . . ?
F24 C12 F22 106.8(3) . . ?
F23 C12 C10 110.6(3) . . ?
F24 C12 C10 113.9(3) . . ?
F22 C12 C10 110.4(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Al1 O3 1.6895(19) . ?
Al1 O4 1.7577(19) . ?
Al1 O2 1.7629(19) . ?
Al1 O1 1.7637(18) . ?
Al1 Li1 2.886(6) 2_666 ?
Al1 Li1 2.987(6) . ?
Li1 O1 2.004(6) . ?
Li1 O4 2.104(6) 2_666 ?
Li1 O2 2.167(6) 2_666 ?
Li1 F21 2.413(6) 2_666 ?
Li1 F7 2.460(7) . ?
Li1 O2 2.568(7) . ?
F1 C2 1.313(4) . ?
F2 C2 1.313(4) . ?
F3 C2 1.320(5) . ?
F4 C3 1.321(4) . ?
F5 C3 1.312(4) . ?
F6 C3 1.335(4) . ?
F7 C5 1.345(3) . ?
F8 C5 1.320(4) . ?
F9 C5 1.328(3) . ?
F10 C6 1.330(4) . ?
F11 C6 1.324(4) . ?
F12 C6 1.318(4) . ?
F13 C8 1.339(5) . ?
F14 C8 1.314(5) . ?
F15 C8 1.328(4) . ?
F16 C9 1.319(5) . ?
F17 C9 1.323(4) . ?
F18 C9 1.325(5) . ?
F19 C11 1.334(5) . ?
F20 C11 1.306(4) . ?
F21 C11 1.338(4) . ?
F22 C12 1.322(4) . ?
F23 C12 1.306(5) . ?
F24 C12 1.319(4) . ?
O1 C1 1.400(3) . ?
O2 C4 1.389(3) . ?
O3 C7 1.377(3) . ?
O4 C10 1.400(3) . ?
C1 C3 1.509(4) . ?
C1 C2 1.515(4) . ?
C1 H1A 1.0000 . ?
C4 C5 1.516(4) . ?
C4 C6 1.527(4) . ?
C4 H4A 1.0000 . ?
C7 C9 1.505(5) . ?
C7 C8 1.523(5) . ?
C7 H7A 1.0000 . ?
C10 C11 1.517(5) . ?
C10 C12 1.518(5) . ?
C10 H10A 1.0000 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O3 Al1 O1 C1 16.6(2) . . . . ?
O4 Al1 O1 C1 -109.4(2) . . . . ?
O2 Al1 O1 C1 152.1(2) . . . . ?
Li1 Al1 O1 C1 -158.9(2) 2_666 . . . ?
Li1 Al1 O1 C1 163.9(3) . . . . ?
O3 Al1 O1 Li1 -147.3(2) . . . . ?
O4 Al1 O1 Li1 86.7(2) . . . . ?
O2 Al1 O1 Li1 -11.8(2) . . . . ?
Li1 Al1 O1 Li1 37.2(3) 2_666 . . . ?
O3 Al1 O2 C4 22.4(3) . . . . ?
O4 Al1 O2 C4 143.4(3) . . . . ?
O1 Al1 O2 C4 -103.1(3) . . . . ?
Li1 Al1 O2 C4 150.2(3) 2_666 . . . ?
Li1 Al1 O2 C4 -112.0(3) . . . . ?
O3 Al1 O2 Li1 -127.8(2) . . . 2_666 ?
O4 Al1 O2 Li1 -6.82(19) . . . 2_666 ?
O1 Al1 O2 Li1 106.69(19) . . . 2_666 ?
Li1 Al1 O2 Li1 97.8(2) . . . 2_666 ?
O3 Al1 O2 Li1 134.49(17) . . . . ?
O4 Al1 O2 Li1 -104.58(16) . . . . ?
O1 Al1 O2 Li1 8.93(16) . . . . ?
Li1 Al1 O2 Li1 -97.8(2) 2_666 . . . ?
O4 Al1 O3 C7 -132.2(4) . . . . ?
O2 Al1 O3 C7 -18.7(4) . . . . ?
O1 Al1 O3 C7 101.2(4) . . . . ?
Li1 Al1 O3 C7 -85.4(5) 2_666 . . . ?
Li1 Al1 O3 C7 66.3(5) . . . . ?
O3 Al1 O4 C10 1.2(2) . . . . ?
O2 Al1 O4 C10 -131.3(2) . . . . ?
O1 Al1 O4 C10 127.6(2) . . . . ?
Li1 Al1 O4 C10 -138.4(3) 2_666 . . . ?
Li1 Al1 O4 C10 169.7(2) . . . . ?
O3 Al1 O4 Li1 139.6(2) . . . 2_666 ?
O2 Al1 O4 Li1 7.1(2) . . . 2_666 ?
O1 Al1 O4 Li1 -94.1(2) . . . 2_666 ?
Li1 Al1 O4 Li1 -52.0(3) . . . 2_666 ?
Al1 O1 C1 C3 88.0(3) . . . . ?
Li1 O1 C1 C3 -112.1(3) . . . . ?
Al1 O1 C1 C2 -147.7(2) . . . . ?
Li1 O1 C1 C2 12.3(4) . . . . ?
O1 C1 C2 F2 64.7(4) . . . . ?
C3 C1 C2 F2 -172.4(3) . . . . ?
O1 C1 C2 F1 -176.1(3) . . . . ?
C3 C1 C2 F1 -53.1(4) . . . . ?
O1 C1 C2 F3 -53.2(4) . . . . ?
C3 C1 C2 F3 69.8(4) . . . . ?
O1 C1 C3 F5 61.6(3) . . . . ?
C2 C1 C3 F5 -60.0(4) . . . . ?
O1 C1 C3 F4 -174.8(2) . . . . ?
C2 C1 C3 F4 63.6(4) . . . . ?
O1 C1 C3 F6 -56.8(3) . . . . ?
C2 C1 C3 F6 -178.4(3) . . . . ?
Al1 O2 C4 C5 49.1(3) . . . . ?
Li1 O2 C4 C5 -166.7(2) 2_666 . . . ?
Li1 O2 C4 C5 -54.2(3) . . . . ?
Al1 O2 C4 C6 -74.9(3) . . . . ?
Li1 O2 C4 C6 69.2(3) 2_666 . . . ?
Li1 O2 C4 C6 -178.2(2) . . . . ?
Li1 F7 C5 F8 -144.8(2) . . . . ?
Li1 F7 C5 F9 99.8(3) . . . . ?
Li1 F7 C5 C4 -22.4(3) . . . . ?
O2 C4 C5 F8 170.8(2) . . . . ?
C6 C4 C5 F8 -66.2(3) . . . . ?
O2 C4 C5 F9 -65.7(3) . . . . ?
C6 C4 C5 F9 57.3(3) . . . . ?
O2 C4 C5 F7 51.9(3) . . . . ?
C6 C4 C5 F7 174.9(2) . . . . ?
O2 C4 C6 F12 -176.5(2) . . . . ?
C5 C4 C6 F12 60.2(3) . . . . ?
O2 C4 C6 F11 -56.8(3) . . . . ?
C5 C4 C6 F11 179.9(2) . . . . ?
O2 C4 C6 F10 61.8(3) . . . . ?
C5 C4 C6 F10 -61.5(3) . . . . ?
Al1 O3 C7 C9 130.1(4) . . . . ?
Al1 O3 C7 C8 -105.5(4) . . . . ?
O3 C7 C8 F14 -58.2(4) . . . . ?
C9 C7 C8 F14 64.5(4) . . . . ?
O3 C7 C8 F15 178.9(3) . . . . ?
C9 C7 C8 F15 -58.4(4) . . . . ?
O3 C7 C8 F13 60.3(4) . . . . ?
C9 C7 C8 F13 -177.0(3) . . . . ?
O3 C7 C9 F16 63.0(5) . . . . ?
C8 C7 C9 F16 -59.5(5) . . . . ?
O3 C7 C9 F17 -174.8(3) . . . . ?
C8 C7 C9 F17 62.8(4) . . . . ?
O3 C7 C9 F18 -56.3(4) . . . . ?
C8 C7 C9 F18 -178.8(3) . . . . ?
Al1 O4 C10 C11 105.2(3) . . . . ?
Li1 O4 C10 C11 -23.0(4) 2_666 . . . ?
Al1 O4 C10 C12 -131.7(2) . . . . ?
Li1 O4 C10 C12 100.2(3) 2_666 . . . ?
Li1 F21 C11 F20 -173.6(3) 2_666 . . . ?
Li1 F21 C11 F19 71.5(3) 2_666 . . . ?
Li1 F21 C11 C10 -47.8(4) 2_666 . . . ?
O4 C10 C11 F20 170.0(3) . . . . ?
C12 C10 C11 F20 47.0(4) . . . . ?
O4 C10 C11 F19 -69.1(3) . . . . ?
C12 C10 C11 F19 167.9(3) . . . . ?
O4 C10 C11 F21 48.0(4) . . . . ?
C12 C10 C11 F21 -75.0(4) . . . . ?
O4 C10 C12 F23 43.0(4) . . . . ?
C11 C10 C12 F23 163.8(3) . . . . ?
O4 C10 C12 F24 -76.4(4) . . . . ?
C11 C10 C12 F24 44.3(4) . . . . ?
O4 C10 C12 F22 163.5(3) . . . . ?
C11 C10 C12 F22 -75.8(4) . . . . ?
