# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_CsLiGa6S10
_database_code_depnum_ccdc_archive 'CCDC 2154078'
loop_
_audit_author_name
_audit_author_address
'Sulfur gallium cesium lithium'
;Fujian Institute of Research on the Structure  of Matter, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2022-02-26 deposited with the CCDC.	2022-10-24 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            CsLiGa6S10
_chemical_melting_point          'not measured'
_chemical_formula_moiety         CsLiGa6S10
_chemical_formula_sum            'Cs2 Ga12 Li2 S20'
_chemical_formula_weight         1757.54

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_H-M_alt        'C c'
_space_group_name_Hall           'C -2yc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'

_cell_length_a                   16.7629(6)
_cell_length_b                   6.4361(2)
_cell_length_c                   16.1915(7)
_cell_angle_alpha                90
_cell_angle_beta                 111.031(4)
_cell_angle_gamma                90
_cell_volume                     1630.50(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    6593
_cell_measurement_theta_min      4.6650
_cell_measurement_theta_max      31.4850

_exptl_crystal_description       block
_exptl_crystal_colour            Colorless
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    3.580
_exptl_crystal_F_000             1616
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.181
_exptl_crystal_size_mid          0.152
_exptl_crystal_size_min          0.147
_exptl_absorpt_coefficient_mu    13.224
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.42650
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Rigaku Pilatus CCD'
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_detector_area_resol_mean 28.5714
_diffrn_reflns_number            6872
_diffrn_reflns_av_unetI/netI     0.0260
_diffrn_reflns_av_R_equivalents  0.0247
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         4.059
_diffrn_reflns_theta_max         25.499
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.907
_diffrn_reflns_point_group_measured_fraction_full 0.908
_reflns_number_total             2739
_reflns_number_gt                2703
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.819
_reflns_Friedel_fraction_max     0.817
_reflns_Friedel_fraction_full    0.820

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrysAlisPro 1.171.39.23b (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.23b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.23b (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0253P)²]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   ?
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0255(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
;
 Flack x determined using 1199 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   -0.001(7)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         2739
_refine_ls_number_parameters     164
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0200
_refine_ls_R_factor_gt           0.0197
_refine_ls_wR_factor_ref         0.0403
_refine_ls_wR_factor_gt          0.0402
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Cs1 Cs 0.68507(3) 0.31061(5) 0.64054(3) 0.01925(11) Uani 1 1 d . . . . .
Li1 Li 0.4181(6) 0.8321(12) 0.8142(7) 0.007(3) Uani 1 1 d . . . . .
Ga1 Ga 0.86362(5) 0.83381(9) 0.89388(6) 0.0090(2) Uani 1 1 d . . . . .
Ga2 Ga 0.63344(4) 0.68567(10) 0.84628(5) 0.0096(2) Uani 1 1 d . . . . .
Ga3 Ga 0.49755(5) 0.82308(11) 0.63012(5) 0.0092(2) Uani 1 1 d . . . . .
Ga4 Ga 0.81262(5) 0.68154(10) 0.48574(5) 0.0093(2) Uani 1 1 d . . . . .
Ga5 Ga 0.94721(6) 0.83936(10) 0.71687(5) 0.00959(19) Uani 1 1 d . . . . .
Ga6 Ga 0.59600(5) 0.83322(9) 0.44352(5) 0.00955(19) Uani 1 1 d . . . . .
S1 S 0.55671(9) 0.8299(2) 0.92012(11) 0.0107(4) Uani 1 1 d . . . . .
S2 S 0.95240(10) 0.66592(17) 0.59275(10) 0.0084(3) Uani 1 1 d . . . . .
S3 S 1.00000(10) 0.8291(2) 1.00000(9) 0.0091(3) Uani 1 1 d . . . . .
S4 S 0.40060(10) 0.6631(2) 0.67388(11) 0.0111(3) Uani 1 1 d . . . . .
S5 S 0.72420(12) 0.7948(2) 0.55057(12) 0.0127(4) Uani 1 1 d . . . . .
S6 S 0.77322(10) 0.6646(2) 0.95028(11) 0.0090(3) Uani 1 1 d . . . . .
S7 S 0.63471(12) 0.8186(2) 0.71976(13) 0.0131(4) Uani 1 1 d . . . . .
S8 S 0.81480(10) 0.8389(2) 0.36276(10) 0.0101(3) Uani 1 1 d . . . . .
S9 S 0.58842(11) 0.3391(2) 0.81538(11) 0.0094(3) Uani 1 1 d . . . . .
S10 S 0.85949(9) 0.6694(2) 0.77003(10) 0.0106(4) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Cs1 S1 3.5599(16) 2_564 ?
Cs1 S4 3.5840(16) 3_545 ?
Cs1 S5 3.5984(16) . ?
Cs1 S8 3.6035(16) 2_565 ?
Cs1 S7 3.6278(15) 1_545 ?
Cs1 S7 3.7184(15) . ?
Cs1 S10 3.7253(15) . ?
Cs1 S9 3.7369(15) . ?
Cs1 S5 3.7763(15) 1_545 ?
Cs1 S2 3.8094(17) 3_445 ?
Cs1 S6 3.8687(16) 2_564 ?
Cs1 S3 3.8875(15) 4_464 ?
Li1 S1 2.342(10) . ?
Li1 S10 2.384(8) 3_455 ?
Li1 S8 2.409(10) 4_465 ?
Li1 S4 2.440(11) . ?
Li1 Cs1 3.911(10) 3_455 ?
Ga1 S10 2.2462(18) . ?
Ga1 S8 2.2507(15) 2_575 ?
Ga1 S6 2.3041(18) . ?
Ga1 S3 2.315(2) . ?
Ga2 S7 2.227(2) . ?
Ga2 S1 2.2469(16) . ?
Ga2 S6 2.3478(19) . ?
Ga2 S9 2.3504(16) . ?
Ga3 S7 2.236(2) . ?
Ga3 S4 2.2427(16) . ?
Ga3 S3 2.3370(15) 4_464 ?
Ga3 S2 2.3407(14) 3_455 ?
Ga3 Cs1 4.4016(8) 1_565 ?
Ga4 S5 2.224(2) . ?
Ga4 S8 2.2457(18) . ?
Ga4 S6 2.3362(16) 2_564 ?
Ga4 S2 2.3640(18) . ?
Ga5 S10 2.2378(15) . ?
Ga5 S4 2.2465(15) 3 ?
Ga5 S2 2.3277(16) . ?
Ga5 S9 2.332(2) 3 ?
Ga6 S5 2.2384(19) . ?
Ga6 S1 2.2584(16) 2_574 ?
Ga6 S9 2.3156(18) 2_564 ?
Ga6 S3 2.3608(17) 4_464 ?
Ga6 Cs1 4.2927(7) 1_565 ?
S1 Ga6 2.2584(16) 2_575 ?
S1 Cs1 3.5599(16) 2_565 ?
S2 Ga3 2.3407(14) 3_545 ?
S2 Cs1 3.8094(17) 3 ?
S3 Ga3 2.3370(15) 4_565 ?
S3 Ga6 2.3608(17) 4_565 ?
S3 Cs1 3.8876(15) 4_565 ?
S4 Ga5 2.2466(15) 3_445 ?
S4 Cs1 3.5840(16) 3_455 ?
S5 Cs1 3.7763(15) 1_565 ?
S6 Ga4 2.3363(16) 2_565 ?
S6 Cs1 3.8686(16) 2_565 ?
S7 Cs1 3.6278(15) 1_565 ?
S8 Ga1 2.2507(15) 2_574 ?
S8 Li1 2.409(10) 4_564 ?
S8 Cs1 3.6035(16) 2_564 ?
S9 Ga6 2.3156(18) 2_565 ?
S9 Ga5 2.332(2) 3_445 ?
S10 Li1 2.384(8) 3_545 ?

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
S1 Cs1 S4 107.32(4) 2_564 3_545 ?
S1 Cs1 S5 86.93(4) 2_564 . ?
S4 Cs1 S5 88.28(4) 3_545 . ?
S1 Cs1 S8 149.80(3) 2_564 2_565 ?
S4 Cs1 S8 64.18(3) 3_545 2_565 ?
S5 Cs1 S8 120.20(4) . 2_565 ?
S1 Cs1 S7 89.95(4) 2_564 1_545 ?
S4 Cs1 S7 93.75(4) 3_545 1_545 ?
S5 Cs1 S7 176.68(5) . 1_545 ?
S8 Cs1 S7 63.10(4) 2_565 1_545 ?
S1 Cs1 S7 116.03(4) 2_564 . ?
S4 Cs1 S7 121.49(4) 3_545 . ?
S5 Cs1 S7 58.34(3) . . ?
S8 Cs1 S7 91.18(4) 2_565 . ?
S7 Cs1 S7 122.35(5) 1_545 . ?
S1 Cs1 S10 142.34(4) 2_564 . ?
S4 Cs1 S10 62.24(3) 3_545 . ?
S5 Cs1 S10 58.04(4) . . ?
S8 Cs1 S10 62.16(4) 2_565 . ?
S7 Cs1 S10 125.26(4) 1_545 . ?
S7 Cs1 S10 59.35(4) . . ?
S1 Cs1 S9 120.10(4) 2_564 . ?
S4 Cs1 S9 125.91(4) 3_545 . ?
S5 Cs1 S9 117.11(3) . . ?
S8 Cs1 S9 61.77(4) 2_565 . ?
S7 Cs1 S9 63.63(4) 1_545 . ?
S7 Cs1 S9 58.78(3) . . ?
S10 Cs1 S9 90.53(4) . . ?
S1 Cs1 S5 61.06(4) 2_564 1_545 ?
S4 Cs1 S5 61.31(4) 3_545 1_545 ?
S5 Cs1 S5 121.54(5) . 1_545 ?
S8 Cs1 S5 91.40(4) 2_565 1_545 ?
S7 Cs1 S5 57.57(3) 1_545 1_545 ?
S7 Cs1 S5 176.89(5) . 1_545 ?
S10 Cs1 S5 123.52(4) . 1_545 ?
S9 Cs1 S5 121.19(4) . 1_545 ?
S1 Cs1 S2 61.83(3) 2_564 3_445 ?
S4 Cs1 S2 150.35(3) 3_545 3_445 ?
S5 Cs1 S2 116.84(4) . 3_445 ?
S8 Cs1 S2 110.15(4) 2_565 3_445 ?
S7 Cs1 S2 60.48(3) 1_545 3_445 ?
S7 Cs1 S2 86.70(4) . 3_445 ?
S10 Cs1 S2 143.65(3) . 3_445 ?
S9 Cs1 S2 58.35(3) . 3_445 ?
S5 Cs1 S2 90.78(3) 1_545 3_445 ?
S1 Cs1 S6 58.55(3) 2_564 2_564 ?
S4 Cs1 S6 58.56(4) 3_545 2_564 ?
S5 Cs1 S6 57.64(3) . 2_564 ?
S8 Cs1 S6 122.69(4) 2_565 2_564 ?
S7 Cs1 S6 121.42(4) 1_545 2_564 ?
S7 Cs1 S6 115.94(3) . 2_564 ?
S10 Cs1 S6 88.61(3) . 2_564 ?
S9 Cs1 S6 174.02(3) . 2_564 ?
S5 Cs1 S6 63.90(4) 1_545 2_564 ?
S2 Cs1 S6 120.27(3) 3_445 2_564 ?
S1 Cs1 S3 59.76(3) 2_564 4_464 ?
S4 Cs1 S3 142.72(3) 3_545 4_464 ?
S5 Cs1 S3 57.97(4) . 4_464 ?
S8 Cs1 S3 144.35(3) 2_565 4_464 ?
S7 Cs1 S3 119.31(4) 1_545 4_464 ?
S7 Cs1 S3 56.30(4) . 4_464 ?
S10 Cs1 S3 105.07(3) . 4_464 ?
S9 Cs1 S3 86.69(3) . 4_464 ?
S5 Cs1 S3 120.75(3) 1_545 4_464 ?
S2 Cs1 S3 58.88(3) 3_445 4_464 ?
S6 Cs1 S3 87.82(3) 2_564 4_464 ?
S1 Li1 S10 114.8(4) . 3_455 ?
S1 Li1 S8 113.5(4) . 4_465 ?
S10 Li1 S8 104.3(4) 3_455 4_465 ?
S1 Li1 S4 115.8(4) . . ?
S10 Li1 S4 103.2(4) 3_455 . ?
S8 Li1 S4 103.9(3) 4_465 . ?
S1 Li1 Cs1 177.4(3) . 3_455 ?
S10 Li1 Cs1 67.6(2) 3_455 3_455 ?
S8 Li1 Cs1 64.5(2) 4_465 3_455 ?
S4 Li1 Cs1 63.9(2) . 3_455 ?
S10 Ga1 S8 110.42(7) . 2_575 ?
S10 Ga1 S6 108.50(6) . . ?
S8 Ga1 S6 107.03(6) 2_575 . ?
S10 Ga1 S3 111.24(7) . . ?
S8 Ga1 S3 111.18(6) 2_575 . ?
S6 Ga1 S3 108.32(7) . . ?
S7 Ga2 S1 121.80(7) . . ?
S7 Ga2 S6 110.20(7) . . ?
S1 Ga2 S6 104.88(7) . . ?
S7 Ga2 S9 106.09(6) . . ?
S1 Ga2 S9 107.69(6) . . ?
S6 Ga2 S9 105.04(7) . . ?
S7 Ga3 S4 118.82(8) . . ?
S7 Ga3 S3 103.49(6) . 4_464 ?
S4 Ga3 S3 109.97(6) . 4_464 ?
S7 Ga3 S2 109.98(6) . 3_455 ?
S4 Ga3 S2 108.10(7) . 3_455 ?
S3 Ga3 S2 105.71(6) 4_464 3_455 ?
S7 Ga3 Cs1 55.27(4) . 1_565 ?
S4 Ga3 Cs1 154.64(5) . 1_565 ?
S3 Ga3 Cs1 95.16(4) 4_464 1_565 ?
S2 Ga3 Cs1 59.88(4) 3_455 1_565 ?
S5 Ga4 S8 119.76(7) . . ?
S5 Ga4 S6 104.54(6) . 2_564 ?
S8 Ga4 S6 107.77(7) . 2_564 ?
S5 Ga4 S2 108.73(7) . . ?
S8 Ga4 S2 109.99(6) . . ?
S6 Ga4 S2 104.95(6) 2_564 . ?
S10 Ga5 S4 111.66(6) . 3 ?
S10 Ga5 S2 109.33(6) . . ?
S4 Ga5 S2 107.09(7) 3 . ?
S10 Ga5 S9 112.48(6) . 3 ?
S4 Ga5 S9 111.56(7) 3 3 ?
S2 Ga5 S9 104.29(7) . 3 ?
S5 Ga6 S1 112.16(6) . 2_574 ?
S5 Ga6 S9 111.69(6) . 2_564 ?
S1 Ga6 S9 112.99(6) 2_574 2_564 ?
S5 Ga6 S3 104.46(7) . 4_464 ?
S1 Ga6 S3 106.96(6) 2_574 4_464 ?
S9 Ga6 S3 108.02(6) 2_564 4_464 ?
S5 Ga6 Cs1 61.47(4) . 1_565 ?
S1 Ga6 Cs1 55.96(4) 2_574 1_565 ?
S9 Ga6 Cs1 154.33(5) 2_564 1_565 ?
S3 Ga6 Cs1 97.62(5) 4_464 1_565 ?
Ga2 S1 Ga6 107.32(7) . 2_575 ?
Ga2 S1 Li1 102.7(3) . . ?
Ga6 S1 Li1 105.7(2) 2_575 . ?
Ga2 S1 Cs1 99.97(5) . 2_565 ?
Ga6 S1 Cs1 92.33(5) 2_575 2_565 ?
Li1 S1 Cs1 145.1(3) . 2_565 ?
Ga5 S2 Ga3 109.74(7) . 3_545 ?
Ga5 S2 Ga4 106.15(7) . . ?
Ga3 S2 Ga4 111.90(6) 3_545 . ?
Ga5 S2 Cs1 93.45(5) . 3 ?
Ga3 S2 Cs1 88.02(5) 3_545 3 ?
Ga4 S2 Cs1 144.26(5) . 3 ?
Ga1 S3 Ga3 110.03(7) . 4_565 ?
Ga1 S3 Ga6 110.31(7) . 4_565 ?
Ga3 S3 Ga6 113.49(7) 4_565 4_565 ?
Ga1 S3 Cs1 142.62(6) . 4_565 ?
Ga3 S3 Cs1 89.48(4) 4_565 4_565 ?
Ga6 S3 Cs1 88.80(5) 4_565 4_565 ?
Ga3 S4 Ga5 108.23(8) . 3_445 ?
Ga3 S4 Li1 103.4(2) . . ?
Ga5 S4 Li1 102.3(2) 3_445 . ?
Ga3 S4 Cs1 129.53(6) . 3_455 ?
Ga5 S4 Cs1 120.80(6) 3_445 3_455 ?
Li1 S4 Cs1 78.4(2) . 3_455 ?
Ga4 S5 Ga6 106.74(8) . . ?
Ga4 S5 Cs1 99.00(5) . . ?
Ga6 S5 Cs1 98.36(6) . . ?
Ga4 S5 Cs1 135.04(6) . 1_565 ?
Ga6 S5 Cs1 87.14(5) . 1_565 ?
Cs1 S5 Cs1 121.54(5) . 1_565 ?
Ga1 S6 Ga4 112.33(7) . 2_565 ?
Ga1 S6 Ga2 108.51(7) . . ?
Ga4 S6 Ga2 110.65(7) 2_565 . ?
Ga1 S6 Cs1 142.15(7) . 2_565 ?
Ga4 S6 Cs1 89.92(5) 2_565 2_565 ?
Ga2 S6 Cs1 90.04(5) . 2_565 ?
Ga2 S7 Ga3 104.77(8) . . ?
Ga2 S7 Cs1 137.80(7) . 1_565 ?
Ga3 S7 Cs1 94.29(5) . 1_565 ?
Ga2 S7 Cs1 93.31(5) . . ?
Ga3 S7 Cs1 95.46(5) . . ?
Cs1 S7 Cs1 122.35(5) 1_565 . ?
Ga4 S8 Ga1 110.11(7) . 2_574 ?
Ga4 S8 Li1 109.0(3) . 4_564 ?
Ga1 S8 Li1 104.7(2) 2_574 4_564 ?
Ga4 S8 Cs1 124.68(6) . 2_564 ?
Ga1 S8 Cs1 120.93(7) 2_574 2_564 ?
Li1 S8 Cs1 78.4(2) 4_564 2_564 ?
Ga6 S9 Ga5 109.21(6) 2_565 3_445 ?
Ga6 S9 Ga2 110.71(7) 2_565 . ?
Ga5 S9 Ga2 108.33(7) 3_445 . ?
Ga6 S9 Cs1 139.11(6) 2_565 . ?
Ga5 S9 Cs1 95.25(5) 3_445 . ?
Ga2 S9 Cs1 90.83(5) . . ?
Ga5 S10 Ga1 107.41(6) . . ?
Ga5 S10 Li1 107.7(2) . 3_545 ?
Ga1 S10 Li1 106.5(3) . 3_545 ?
Ga5 S10 Cs1 125.30(6) . . ?
Ga1 S10 Cs1 124.13(5) . . ?
Li1 S10 Cs1 76.1(2) 3_545 . ?

_refine_diff_density_max         0.766
_refine_diff_density_min         -1.018
_refine_diff_density_rms         0.248

_shelxl_version_number           2013-2

