#------------------------------------------------------------------------------
#$Date: 2023-05-05 04:26:24 +0300 (Fri, 05 May 2023) $
#$Revision: 283213 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/64/7246434.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_7246434
loop_
_publ_author_name
'Berseneva, Anna A.'
'Klepov, Vladislav V.'
'Tisdale, Hunter B.'
'zur Loye, Hans-Conrad'
_publ_section_title
;
 Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion
 chalcogenide family
;
_journal_issue                   15
_journal_name_full               CrystEngComm
_journal_page_first              2307
_journal_page_last               2312
_journal_paper_doi               10.1039/D3CE00074E
_journal_volume                  25
_journal_year                    2023
_chemical_formula_moiety         '0.13(Cl8 Ga8 Na16 S16)'
_chemical_formula_sum            'Cl Ga Na2 S2'
_chemical_formula_weight         215.27
_space_group_crystal_system      tetragonal
_space_group_IT_number           137
_space_group_name_Hall           '-P 4ac 2a'
_space_group_name_H-M_alt        'P 42/n m c :2'
_atom_sites_solution_primary     dual
_audit_creation_date             2020-12-23
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2023-01-11 deposited with the CCDC.	2023-03-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.2850(2)
_cell_length_b                   7.2850(2)
_cell_length_c                   19.7163(5)
_cell_measurement_reflns_used    9748
_cell_measurement_temperature    301(2)
_cell_measurement_theta_max      36.28
_cell_measurement_theta_min      2.98
_cell_volume                     1046.37(5)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      301.61
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0539
_diffrn_reflns_av_unetI/netI     0.0124
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            48407
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.972
_diffrn_reflns_theta_min         2.981
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.555
_exptl_absorpt_correction_T_max  0.4977
_exptl_absorpt_correction_T_min  0.2905
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1312 before and 0.0777 after correction.
The Ratio of minimum to maximum transmission is 0.5837.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.733
_exptl_crystal_description       block
_exptl_crystal_F_000             816
_exptl_crystal_size_max          0.8
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.231
_refine_diff_density_min         -0.523
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.132
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     40
_refine_ls_number_reflns         736
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.132
_refine_ls_R_factor_all          0.0207
_refine_ls_R_factor_gt           0.0190
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0291P)²+0.6978P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0491
_refine_ls_wR_factor_ref         0.0520
_reflns_Friedel_coverage         0.000
_reflns_number_gt                680
_reflns_number_total             736
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3ce00074e2.cif
_cod_data_source_block           ab1036a
_cod_depositor_comments
'Adding full bibliography for 7246434--7246439.cif.'
_cod_original_cell_volume        1046.37(6)
_cod_original_sg_symbol_H-M      'P 42/n m c'
_cod_database_code               7246434
_shelx_shelxl_version_number     2018/3
_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_max   0.622
_shelx_estimated_absorpt_t_min   0.077
_olex2_refinement_description
;
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-y+1/2, x, z+1/2'
'y, -x+1/2, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y, -z'
'y+1/2, x+1/2, -z+1/2'
'-y, -x, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'y-1/2, -x, -z-1/2'
'-y, x-1/2, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y, z'
'-y-1/2, -x-1/2, z-1/2'
'y, x, z-1/2'
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
Ga1 Ga 0.250000 0.50360(3) 0.31668(2) 0.01129(11) Uani 1 2 d S T P . .
Cl1 Cl 0.750000 1.00011(6) 0.44111(3) 0.01828(15) Uani 1 2 d S T P . .
S1 S -0.00520(5) 0.49480(5) 0.250000 0.01462(14) Uani 1 2 d S T P . .
S3 S 0.250000 0.750000 0.38667(4) 0.01659(18) Uani 1 4 d S T P . .
S2 S 0.250000 0.250000 0.38407(3) 0.01505(17) Uani 1 4 d S T P . .
Na1 Na 0.50133(10) 0.750000 0.50037(6) 0.0236(3) Uani 1 2 d S T P . .
Na2 Na 0.750000 0.750000 0.33356(7) 0.0347(4) Uani 1 4 d S T P . .
Na3 Na 0.750000 1.250000 0.33524(8) 0.0400(4) Uani 1 4 d S T P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cl Cl 0.1484 0.1585 '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'
Na Na 0.0362 0.0249 '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'
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 Ga1 S1 109.406(14) . 12_666 ?
S1 Ga1 Na2 59.696(6) . 11_566 ?
S1 Ga1 Na2 59.696(6) 12_666 11_566 ?
S3 Ga1 S1 111.967(10) . . ?
S3 Ga1 S1 111.967(10) . 12_666 ?
S3 Ga1 S2 106.72(2) . . ?
S3 Ga1 Na2 159.50(2) . 11_566 ?
S2 Ga1 S1 108.309(15) . . ?
S2 Ga1 S1 108.308(14) . 12_666 ?
S2 Ga1 Na2 93.77(2) . 11_566 ?
Na1 Cl1 Na1 79.86(3) 2_665 . ?
Na1 Cl1 Na1 131.47(2) . 10_666 ?
Na1 Cl1 Na1 80.279(8) 2_665 10_666 ?
Na1 Cl1 Na1 80.70(3) 10_666 9_676 ?
Na1 Cl1 Na1 80.279(8) . 9_676 ?
Na1 Cl1 Na1 131.47(2) 2_665 9_676 ?
Na2 Cl1 Na1 83.87(3) . . ?
Na2 Cl1 Na1 136.80(2) . 9_676 ?
Na2 Cl1 Na1 83.87(3) . 2_665 ?
Na2 Cl1 Na1 136.80(2) . 10_666 ?
Na3 Cl1 Na1 83.36(3) . 10_666 ?
Na3 Cl1 Na1 83.36(3) . 9_676 ?
Na3 Cl1 Na1 137.41(2) . . ?
Na3 Cl1 Na1 137.41(2) . 2_665 ?
Na3 Cl1 Na2 81.76(4) . . ?
Ga1 S1 Ga1 106.69(2) . 11_566 ?
Ga1 S1 Na2 98.51(2) 11_566 11_566 ?
Ga1 S1 Na2 80.28(2) . 11_566 ?
Ga1 S1 Na2 98.51(2) . 1_455 ?
Ga1 S1 Na2 80.28(2) 11_566 1_455 ?
Ga1 S1 Na3 144.771(13) . 11_466 ?
Ga1 S1 Na3 100.18(2) 11_566 11_466 ?
Ga1 S1 Na3 144.771(13) 11_566 1_445 ?
Ga1 S1 Na3 100.18(2) . 1_445 ?
Na2 S1 Na2 177.99(2) 11_566 1_455 ?
Na3 S1 Na2 108.26(2) 1_445 11_566 ?
Na3 S1 Na2 73.489(19) 1_445 1_455 ?
Na3 S1 Na2 108.26(2) 11_466 1_455 ?
Na3 S1 Na2 73.489(19) 11_466 11_566 ?
Na3 S1 Na3 67.36(5) 11_466 1_445 ?
Ga1 S3 Ga1 104.89(3) 2_565 . ?
Ga1 S3 Na1 118.167(11) . 2_565 ?
Ga1 S3 Na1 118.167(10) . . ?
Ga1 S3 Na1 118.167(11) 2_565 . ?
Ga1 S3 Na1 118.167(10) 2_565 2_565 ?
Na1 S3 Na1 78.49(4) 2_565 . ?
Ga1 S2 Ga1 108.55(3) 2 . ?
Ga1 S2 Na1 117.196(10) . 10_556 ?
Ga1 S2 Na1 117.196(10) 2 9_666 ?
Ga1 S2 Na1 117.196(10) 2 10_556 ?
Ga1 S2 Na1 117.196(10) . 9_666 ?
Na1 S2 Na1 76.97(4) 9_666 10_556 ?
Cl1 Na1 Cl1 99.722(8) 2_665 10_556 ?
Cl1 Na1 Cl1 80.41(3) 2_665 . ?
Cl1 Na1 Cl1 99.721(8) . 9_676 ?
Cl1 Na1 Cl1 179.52(4) 2_665 9_676 ?
Cl1 Na1 Cl1 179.52(4) . 10_556 ?
Cl1 Na1 Cl1 80.14(3) 10_556 9_676 ?
Cl1 Na1 S3 94.90(3) 2_665 . ?
Cl1 Na1 S3 84.63(2) 10_556 . ?
Cl1 Na1 S3 84.63(2) 9_676 . ?
Cl1 Na1 S3 94.90(3) . . ?
Cl1 Na1 S2 85.67(2) 2_665 9_666 ?
Cl1 Na1 S2 85.67(2) . 9_666 ?
Cl1 Na1 S2 94.79(3) 10_556 9_666 ?
Cl1 Na1 S2 94.79(3) 9_676 9_666 ?
Cl1 Na1 Na1 130.34(4) . 9_666 ?
Cl1 Na1 Na1 129.93(4) 10_556 9_676 ?
Cl1 Na1 Na1 129.928(16) 2_665 2_565 ?
Cl1 Na1 Na1 130.34(4) 2_665 9_676 ?
Cl1 Na1 Na1 130.348(16) 10_556 2_665 ?
Cl1 Na1 Na1 129.928(16) . 2_565 ?
Cl1 Na1 Na1 50.071(16) . 2_665 ?
Cl1 Na1 Na1 49.928(18) . 9_676 ?
Cl1 Na1 Na1 130.348(16) 9_676 2_665 ?
Cl1 Na1 Na1 49.794(18) 9_676 9_676 ?
Cl1 Na1 Na1 49.652(16) 10_556 2_565 ?
Cl1 Na1 Na1 129.93(4) 9_676 9_666 ?
Cl1 Na1 Na1 49.794(18) 10_556 9_666 ?
Cl1 Na1 Na1 49.652(16) 9_676 2_565 ?
Cl1 Na1 Na1 50.071(16) 2_665 2_665 ?
Cl1 Na1 Na1 49.928(18) 2_665 9_666 ?
Cl1 Na1 Na2 47.76(2) 2_665 . ?
Cl1 Na1 Na2 47.76(2) . . ?
Cl1 Na1 Na2 132.05(3) 10_556 . ?
Cl1 Na1 Na2 132.05(3) 9_676 . ?
Cl1 Na1 Na3 132.54(3) 2_665 9_676 ?
Cl1 Na1 Na3 47.65(2) 9_676 9_676 ?
Cl1 Na1 Na3 132.54(3) . 9_676 ?
Cl1 Na1 Na3 47.65(2) 10_556 9_676 ?
S3 Na1 S2 179.24(4) . 9_666 ?
S3 Na1 Na1 50.76(2) . 2_565 ?
S3 Na1 Na1 129.24(2) . 2_665 ?
S3 Na1 Na1 89.63(3) . 9_666 ?
S3 Na1 Na1 89.63(3) . 9_676 ?
S3 Na1 Na2 68.09(3) . . ?
S3 Na1 Na3 111.30(3) . 9_676 ?
S2 Na1 Na1 51.51(2) 9_666 2_665 ?
S2 Na1 Na1 90.37(3) 9_666 9_676 ?
S2 Na1 Na1 90.37(3) 9_666 9_666 ?
S2 Na1 Na1 128.49(2) 9_666 2_565 ?
S2 Na1 Na2 112.67(3) 9_666 . ?
S2 Na1 Na3 67.95(3) 9_666 9_676 ?
Na1 Na1 Na1 179.24(6) 9_666 9_676 ?
Na1 Na1 Na1 89.69(2) 9_666 2_565 ?
Na1 Na1 Na1 180.0 2_665 2_565 ?
Na1 Na1 Na1 89.69(2) 9_676 2_565 ?
Na1 Na1 Na1 90.31(2) 2_665 9_666 ?
Na1 Na1 Na1 90.31(2) 2_665 9_676 ?
Na1 Na1 Na2 118.847(17) 2_565 . ?
Na1 Na1 Na2 89.95(3) 9_666 . ?
Na1 Na1 Na2 89.95(3) 9_676 . ?
Na1 Na1 Na2 61.152(17) 2_665 . ?
Na1 Na1 Na3 60.538(18) 2_565 9_676 ?
Na1 Na1 Na3 90.05(3) 9_666 9_676 ?
Na1 Na1 Na3 90.05(3) 9_676 9_676 ?
Na1 Na1 Na3 119.463(18) 2_665 9_676 ?
Na3 Na1 Na2 179.39(3) 9_676 . ?
Ga1 Na2 Ga1 63.90(3) 12_666 11_666 ?
Ga1 Na2 Na1 119.202(14) 12_666 . ?
Ga1 Na2 Na1 119.201(14) 11_666 2_665 ?
Ga1 Na2 Na1 176.90(3) 12_666 2_665 ?
Ga1 Na2 Na1 176.90(3) 11_666 . ?
Ga1 Na2 Na3 90.44(3) 12_666 1_545 ?
Ga1 Na2 Na3 90.44(3) 11_666 . ?
Ga1 Na2 Na3 90.44(3) 11_666 1_545 ?
Ga1 Na2 Na3 90.44(3) 12_666 . ?
Cl1 Na2 Ga1 130.058(11) 2_665 11_666 ?
Cl1 Na2 Ga1 130.058(11) . 11_666 ?
Cl1 Na2 Ga1 130.058(11) 2_665 12_666 ?
Cl1 Na2 Ga1 130.058(11) . 12_666 ?
Cl1 Na2 Cl1 81.34(5) 2_665 . ?
Cl1 Na2 S1 143.60(2) 2_665 2_565 ?
Cl1 Na2 S1 143.60(2) 2_665 11_666 ?
Cl1 Na2 S1 90.712(11) . 11_666 ?
Cl1 Na2 S1 143.60(2) . 12_666 ?
Cl1 Na2 S1 90.712(11) 2_665 1_655 ?
Cl1 Na2 S1 90.712(11) 2_665 12_666 ?
Cl1 Na2 S1 143.60(2) . 1_655 ?
Cl1 Na2 S1 90.712(11) . 2_565 ?
Cl1 Na2 Na1 48.37(2) . 2_665 ?
Cl1 Na2 Na1 48.37(2) 2_665 . ?
Cl1 Na2 Na1 48.37(2) . . ?
Cl1 Na2 Na1 48.37(2) 2_665 2_665 ?
Cl1 Na2 Na3 130.15(5) 2_665 . ?
Cl1 Na2 Na3 48.81(3) . . ?
Cl1 Na2 Na3 130.15(5) . 1_545 ?
Cl1 Na2 Na3 48.81(3) 2_665 1_545 ?
S1 Na2 Ga1 40.025(16) 2_565 12_666 ?
S1 Na2 Ga1 40.025(16) 11_666 11_666 ?
S1 Na2 Ga1 81.46(3) 1_655 12_666 ?
S1 Na2 Ga1 40.025(16) 12_666 12_666 ?
S1 Na2 Ga1 81.46(3) 2_565 11_666 ?
S1 Na2 Ga1 81.46(3) 12_666 11_666 ?
S1 Na2 Ga1 40.025(16) 1_655 11_666 ?
S1 Na2 Ga1 81.46(3) 11_666 12_666 ?
S1 Na2 S1 114.80(5) 2_565 1_655 ?
S1 Na2 S1 71.35(3) 11_666 2_565 ?
S1 Na2 S1 74.89(3) 12_666 2_565 ?
S1 Na2 S1 114.80(5) 12_666 11_666 ?
S1 Na2 S1 74.89(3) 11_666 1_655 ?
S1 Na2 S1 71.35(3) 12_666 1_655 ?
S1 Na2 Na1 138.88(2) 12_666 2_665 ?
S1 Na2 Na1 138.88(2) 11_666 . ?
S1 Na2 Na1 100.985(18) 12_666 . ?
S1 Na2 Na1 138.88(2) 1_655 . ?
S1 Na2 Na1 138.88(2) 2_565 2_665 ?
S1 Na2 Na1 100.985(18) 2_565 . ?
S1 Na2 Na1 100.984(18) 1_655 2_665 ?
S1 Na2 Na1 100.984(18) 11_666 2_665 ?
S1 Na2 Na3 127.79(3) 12_666 . ?
S1 Na2 Na3 127.80(3) 11_666 1_545 ?
S1 Na2 Na3 127.80(3) 2_565 1_545 ?
S1 Na2 Na3 52.912(19) 12_666 1_545 ?
S1 Na2 Na3 127.79(3) 1_655 . ?
S1 Na2 Na3 52.912(19) 1_655 1_545 ?
S1 Na2 Na3 52.911(19) 11_666 . ?
S1 Na2 Na3 52.911(19) 2_565 . ?
Na1 Na2 Na1 57.70(3) 2_665 . ?
Na3 Na2 Na1 89.54(3) . . ?
Na3 Na2 Na1 89.54(3) . 2_665 ?
Na3 Na2 Na1 89.54(3) 1_545 . ?
Na3 Na2 Na1 89.54(3) 1_545 2_665 ?
Na3 Na2 Na3 178.96(6) . 1_545 ?
Cl1 Na3 Cl1 82.18(5) 2_675 . ?
Cl1 Na3 S1 91.786(11) 2_675 1_665 ?
Cl1 Na3 S1 143.580(19) 2_675 11_666 ?
Cl1 Na3 S1 91.787(11) . 2_565 ?
Cl1 Na3 S1 143.580(19) 2_675 2_565 ?
Cl1 Na3 S1 91.786(11) 2_675 12_676 ?
Cl1 Na3 S1 143.580(18) . 1_665 ?
Cl1 Na3 S1 91.787(11) . 11_666 ?
Cl1 Na3 S1 143.580(19) . 12_676 ?
Cl1 Na3 Na1 48.99(2) . 9_676 ?
Cl1 Na3 Na1 48.99(2) 2_675 10_666 ?
Cl1 Na3 Na1 48.99(2) 2_675 9_676 ?
Cl1 Na3 Na1 48.99(2) . 10_666 ?
Cl1 Na3 Na2 131.61(5) . 1_565 ?
Cl1 Na3 Na2 49.43(3) 2_675 1_565 ?
Cl1 Na3 Na2 131.61(5) 2_675 . ?
Cl1 Na3 Na2 49.43(3) . . ?
Cl1 Na3 Na3 138.91(2) . 11_576 ?
Cl1 Na3 Na3 138.91(2) 2_675 11_576 ?
S1 Na3 S1 72.09(2) 2_565 11_666 ?
S1 Na3 S1 72.09(2) 1_665 11_666 ?
S1 Na3 S1 112.64(5) 12_676 11_666 ?
S1 Na3 S1 112.64(5) 2_565 1_665 ?
S1 Na3 S1 72.09(2) 12_676 1_665 ?
S1 Na3 S1 72.09(2) 2_565 12_676 ?
S1 Na3 Na1 140.56(3) 2_565 10_666 ?
S1 Na3 Na1 101.152(18) 11_666 10_666 ?
S1 Na3 Na1 140.56(3) 12_676 10_666 ?
S1 Na3 Na1 140.56(3) 11_666 9_676 ?
S1 Na3 Na1 101.152(18) 2_565 9_676 ?
S1 Na3 Na1 101.152(18) 1_665 10_666 ?
S1 Na3 Na1 140.56(3) 1_665 9_676 ?
S1 Na3 Na1 101.152(18) 12_676 9_676 ?
S1 Na3 Na2 53.599(16) 11_666 . ?
S1 Na3 Na2 53.599(16) 2_565 . ?
S1 Na3 Na2 53.600(16) 12_676 1_565 ?
S1 Na3 Na2 125.69(3) 2_565 1_565 ?
S1 Na3 Na2 125.69(3) 1_665 . ?
S1 Na3 Na2 125.69(3) 12_676 . ?
S1 Na3 Na2 53.600(16) 1_665 1_565 ?
S1 Na3 Na2 125.69(3) 11_666 1_565 ?
S1 Na3 Na3 56.32(3) 2_565 11_576 ?
S1 Na3 Na3 56.32(3) 1_665 11_576 ?
S1 Na3 Na3 56.32(3) 11_666 11_576 ?
S1 Na3 Na3 56.32(3) 12_676 11_576 ?
Na1 Na3 Na1 58.92(4) 10_666 9_676 ?
Na2 Na3 Na1 90.45(3) 1_565 9_676 ?
Na2 Na3 Na1 90.45(3) . 10_666 ?
Na2 Na3 Na1 90.45(3) . 9_676 ?
Na2 Na3 Na1 90.45(3) 1_565 10_666 ?
Na2 Na3 Na2 178.96(6) 1_565 . ?
Na3 Na3 Na1 150.539(18) 11_576 9_676 ?
Na3 Na3 Na1 150.539(18) 11_576 10_666 ?
Na3 Na3 Na2 89.48(3) 11_576 . ?
Na3 Na3 Na2 89.48(3) 11_576 1_565 ?
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
Ga1 S1 2.2779(4) . ?
Ga1 S1 2.2779(4) 12_666 ?
Ga1 S3 2.2642(5) . ?
Ga1 S2 2.2757(4) . ?
Ga1 Na2 3.4912(13) 11_566 ?
Cl1 Na1 2.8280(8) 9_676 ?
Cl1 Na1 2.8225(8) . ?
Cl1 Na1 2.8225(8) 2_665 ?
Cl1 Na1 2.8280(8) 10_666 ?
Cl1 Na2 2.7958(12) . ?
Cl1 Na3 2.7697(13) . ?
S1 Na2 3.0580(8) 11_566 ?
S1 Na2 3.0580(8) 1_455 ?
S1 Na3 3.0308(10) 1_445 ?
S1 Na3 3.0308(10) 11_466 ?
S3 Na1 2.8943(11) 2_565 ?
S3 Na1 2.8943(11) . ?
S2 Na1 2.9109(11) 9_666 ?
S2 Na1 2.9109(11) 10_556 ?
Na1 Na1 3.6619(15) 2_565 ?
Na1 Na1 3.64258(10) 9_666 ?
Na1 Na1 3.6231(15) 2_665 ?
Na1 Na1 3.64258(9) 9_676 ?
Na1 Na2 3.7546(16) . ?
Na1 Na3 3.7226(17) 9_676 ?
Na2 Na3 3.64265(9) . ?
Na2 Na3 3.64265(11) 1_545 ?
Na3 Na3 3.361(3) 11_576 ?
