#------------------------------------------------------------------------------
#$Date: 2023-05-05 04:26:24 +0300 (Fri, 05 May 2023) $
#$Revision: 283213 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/64/7246437.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_7246437
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         'Cl0.907 Ga I0.093 Na2 Se2'
_chemical_formula_sum            'Cl0.91 Ga I0.09 Na2 Se2'
_chemical_formula_weight         317.53
_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'
_audit_creation_date             2022-11-10
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_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                   7.5821(2)
_cell_length_b                   7.5821(2)
_cell_length_c                   20.4761(5)
_cell_measurement_reflns_used    9909
_cell_measurement_temperature    299(2)
_cell_measurement_theta_max      33.60
_cell_measurement_theta_min      2.86
_cell_volume                     1177.13(5)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_diffrn_ambient_temperature      299.08
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_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  0.0642
_diffrn_reflns_av_unetI/netI     0.0172
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            33459
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.986
_diffrn_reflns_theta_min         2.865
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    17.930
_exptl_absorpt_correction_T_max  0.7467
_exptl_absorpt_correction_T_min  0.4756
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1544 before and 0.0743 after correction.
The Ratio of minimum to maximum transmission is 0.6369.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    3.583
_exptl_crystal_description       block
_exptl_crystal_F_000             1131
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.974
_refine_diff_density_min         -0.655
_refine_diff_density_rms         0.108
_refine_ls_extinction_coef       0.00051(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.171
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     42
_refine_ls_number_reflns         987
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.171
_refine_ls_R_factor_all          0.0310
_refine_ls_R_factor_gt           0.0166
_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)+(0.0123P)²+2.2645P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0344
_refine_ls_wR_factor_ref         0.0460
_reflns_Friedel_coverage         0.000
_reflns_number_gt                717
_reflns_number_total             987
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3ce00074e2.cif
_cod_data_source_block           ab1063a_tetrna2clgase2_fulls_0
_cod_depositor_comments
'Adding full bibliography for 7246434--7246439.cif.'
_cod_original_cell_volume        1177.13(7)
_cod_original_sg_symbol_H-M      'P 42/n m c'
_cod_database_code               7246437
_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   0.716
_shelx_estimated_absorpt_t_min   0.267
_olex2_refinement_description
;
1. Shared sites
{I1, Cl1}
2. Uiso/Uaniso restraints and constraints
Uanis(I1) = Uanis(Cl1)
3. Others
 Sof(I1)=0.5*(1-FVAR(2))
 Sof(Cl1)=0.5*FVAR(2)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y+1/2, x, z+1/2'
'-x+1/2, -y+1/2, z'
'y, -x+1/2, z+1/2'
'x+1/2, -y, -z'
'-x, y+1/2, -z'
'y+1/2, x+1/2, -z+1/2'
'-y, -x, -z+1/2'
'-x, -y, -z'
'y-1/2, -x, -z-1/2'
'x-1/2, y-1/2, -z'
'-y, x-1/2, -z-1/2'
'-x-1/2, y, z'
'x, -y-1/2, 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 0.750000 0.49759(5) 0.18388(2) 0.01552(10) Uani 1 2 d S T P . .
Se3 Se 0.750000 0.250000 0.11192(3) 0.02142(14) Uani 1 4 d S T P . .
Se2 Se 0.49009(3) 0.50991(3) 0.250000 0.02015(10) Uani 1 2 d S T P . .
Se1 Se 0.750000 0.750000 0.11352(3) 0.01933(13) Uani 1 4 d S T P . .
Cl1 Cl 0.750000 0.49996(11) -0.05768(4) 0.0261(3) Uani 0.9075(19) 2 d S T P . .
Na2 Na 0.4987(3) 0.250000 0.00012(9) 0.0368(4) Uani 1 2 d S T P . .
Na3 Na 0.250000 0.250000 0.16304(15) 0.0524(9) Uani 1 4 d S T P . .
Na1 Na 0.250000 0.750000 0.15923(16) 0.0571(10) Uani 1 4 d S T P . .
I1 I 0.750000 0.49996(11) -0.05768(4) 0.0261(3) Uani 0.0925(19) 2 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'
I I -0.4742 1.8119 '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'
Se Se -0.0929 2.2259 '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
Se3 Ga1 Se2 112.338(12) . . ?
Se3 Ga1 Se2 112.338(12) . 10_666 ?
Se3 Ga1 Se1 104.895(19) . . ?
Se2 Ga1 Se2 110.895(16) . 10_666 ?
Se2 Ga1 Se1 108.007(14) 10_666 . ?
Se2 Ga1 Se1 108.007(14) . . ?
Ga1 Se3 Ga1 103.74(3) . 3_655 ?
Ga1 Se3 Na2 118.33(2) . . ?
Ga1 Se3 Na2 118.33(2) 3_655 . ?
Ga1 Se3 Na2 118.33(2) 3_655 3_655 ?
Ga1 Se3 Na2 118.33(2) . 3_655 ?
Na2 Se3 Na2 79.54(9) 3_655 . ?
Ga1 Se2 Ga1 104.82(2) . 12_656 ?
Ga1 Se2 Na3 80.26(4) 12_656 . ?
Ga1 Se2 Na3 97.41(4) 12_656 10_666 ?
Ga1 Se2 Na3 80.26(4) . 10_666 ?
Ga1 Se2 Na3 97.40(4) . . ?
Ga1 Se2 Na1 145.665(14) . 10_566 ?
Ga1 Se2 Na1 99.40(4) . . ?
Ga1 Se2 Na1 145.664(14) 12_656 . ?
Ga1 Se2 Na1 99.41(4) 12_656 10_566 ?
Na3 Se2 Na3 176.219(13) 10_666 . ?
Na1 Se2 Na3 110.51(3) . 10_666 ?
Na1 Se2 Na3 72.73(3) . . ?
Na1 Se2 Na3 72.73(3) 10_566 10_666 ?
Na1 Se2 Na3 110.51(3) 10_566 . ?
Na1 Se2 Na1 71.65(9) 10_566 . ?
Ga1 Se1 Ga1 106.05(3) . 3_665 ?
Ga1 Se1 Na2 117.86(2) . 11_665 ?
Ga1 Se1 Na2 117.86(2) . 9_665 ?
Ga1 Se1 Na2 117.86(2) 3_665 9_665 ?
Ga1 Se1 Na2 117.86(2) 3_665 11_665 ?
Na2 Se1 Na2 78.05(9) 9_665 11_665 ?
Se3 Na2 Se1 179.25(9) . 9_665 ?
Se3 Na2 Na2 129.77(4) . 3 ?
Se3 Na2 Na2 89.87(6) . 9_665 ?
Se3 Na2 Na2 89.87(6) . 9_655 ?
Se3 Na2 Na2 50.23(4) . 3_655 ?
Se3 Na2 Na1 109.95(7) . 9_665 ?
Se1 Na2 Na2 50.98(4) 9_665 3 ?
Se1 Na2 Na2 90.13(6) 9_665 9_655 ?
Se1 Na2 Na2 129.02(4) 9_665 3_655 ?
Se1 Na2 Na2 90.13(6) 9_665 9_665 ?
Se1 Na2 Na1 69.30(5) 9_665 9_665 ?
Cl1 Na2 Se3 83.96(6) 3_655 . ?
Cl1 Na2 Se3 95.90(5) 9_665 . ?
Cl1 Na2 Se3 95.90(5) 11 . ?
Cl1 Na2 Se1 95.48(5) 3_655 9_665 ?
Cl1 Na2 Se1 84.66(6) 9_665 9_665 ?
Cl1 Na2 Se1 84.66(6) 11 9_665 ?
Cl1 Na2 Cl1 99.353(10) 11 3_655 ?
Cl1 Na2 Cl1 179.72(8) 9_665 3_655 ?
Cl1 Na2 Cl1 80.90(7) 11 9_665 ?
Cl1 Na2 Na2 49.81(4) 11 3 ?
Cl1 Na2 Na2 49.81(4) 9_665 3 ?
Cl1 Na2 Na2 129.91(10) 3_655 9_665 ?
Cl1 Na2 Na2 130.19(4) 9_665 3_655 ?
Cl1 Na2 Na2 49.84(4) 9_665 9_665 ?
Cl1 Na2 Na2 130.45(4) 3_655 3 ?
Cl1 Na2 Na2 130.74(10) 11 9_665 ?
Cl1 Na2 Na2 130.19(4) 11 3_655 ?
Cl1 Na2 Na2 49.55(4) 3_655 3_655 ?
Cl1 Na2 Na2 130.74(10) 9_665 9_655 ?
Cl1 Na2 Na2 49.51(4) 3_655 9_655 ?
Cl1 Na2 Na2 49.84(4) 11 9_655 ?
Cl1 Na2 Na1 47.53(4) 3_655 9_665 ?
Cl1 Na2 Na1 132.35(4) 11 9_665 ?
Cl1 Na2 Na1 132.35(4) 9_665 9_665 ?
Cl1 Na2 I1 80.40(6) 3_655 . ?
Cl1 Na2 I1 179.72(8) 11 . ?
Cl1 Na2 I1 99.354(10) 9_665 . ?
Na2 Na2 Na2 89.71(7) 9_665 3_655 ?
Na2 Na2 Na2 89.71(7) 9_655 3_655 ?
Na2 Na2 Na2 90.29(7) 3 9_655 ?
Na2 Na2 Na2 180.0 3 3_655 ?
Na2 Na2 Na2 179.40(15) 9_665 9_655 ?
Na2 Na2 Na2 90.29(7) 3 9_665 ?
Na2 Na2 Na1 120.28(4) 3 9_665 ?
Na1 Na2 Na2 89.79(6) 9_665 9_665 ?
Na1 Na2 Na2 89.79(6) 9_665 9_655 ?
Na1 Na2 Na2 59.72(4) 9_665 3_655 ?
I1 Na2 Se3 83.96(6) . . ?
I1 Na2 Se1 95.48(5) . 9_665 ?
I1 Na2 Na2 129.91(10) . 9_655 ?
I1 Na2 Na2 130.45(4) . 3 ?
I1 Na2 Na2 49.51(4) . 9_665 ?
I1 Na2 Na2 49.55(4) . 3_655 ?
I1 Na2 Na1 47.53(4) . 9_665 ?
Se2 Na3 Se2 112.85(9) 10_566 12_656 ?
Se2 Na3 Se2 75.47(5) 12_656 . ?
Se2 Na3 Se2 112.85(9) 3 . ?
Se2 Na3 Se2 68.86(4) 10_566 . ?
Se2 Na3 Se2 68.85(4) 12_656 3 ?
Se2 Na3 Se2 75.47(5) 10_566 3 ?
Se2 Na3 Na2 101.72(4) . . ?
Se2 Na3 Na2 101.72(4) 3 3 ?
Se2 Na3 Na2 139.43(5) 12_656 3 ?
Se2 Na3 Na2 101.72(4) 12_656 . ?
Se2 Na3 Na2 139.43(5) 3 . ?
Se2 Na3 Na2 139.43(5) . 3 ?
Se2 Na3 Na2 139.43(5) 10_566 . ?
Se2 Na3 Na2 101.72(4) 10_566 3 ?
Se2 Na3 Na1 53.09(4) 12_656 1_545 ?
Se2 Na3 Na1 128.55(7) . 1_545 ?
Se2 Na3 Na1 53.09(4) 3 1_545 ?
Se2 Na3 Na1 53.09(4) . . ?
Se2 Na3 Na1 128.55(7) 10_566 1_545 ?
Se2 Na3 Na1 53.09(4) 10_566 . ?
Se2 Na3 Na1 128.55(7) 3 . ?
Se2 Na3 Na1 128.55(7) 12_656 . ?
Cl1 Na3 Se2 145.02(4) 9_665 12_656 ?
Cl1 Na3 Se2 145.02(4) 11 . ?
Cl1 Na3 Se2 90.654(16) 9_665 10_566 ?
Cl1 Na3 Se2 145.02(4) 9_665 3 ?
Cl1 Na3 Se2 90.654(16) 11 3 ?
Cl1 Na3 Se2 90.654(16) 11 12_656 ?
Cl1 Na3 Se2 90.654(16) 9_665 . ?
Cl1 Na3 Se2 145.02(4) 11 10_566 ?
Cl1 Na3 Cl1 82.61(9) 11 9_665 ?
Cl1 Na3 Na2 49.16(5) 11 . ?
Cl1 Na3 Na2 49.16(5) 9_665 3 ?
Cl1 Na3 Na2 49.16(5) 9_665 . ?
Cl1 Na3 Na2 49.16(5) 11 3 ?
Cl1 Na3 Na1 47.52(5) 11 1_545 ?
Cl1 Na3 Na1 130.13(11) 9_665 1_545 ?
Cl1 Na3 Na1 130.13(11) 11 . ?
Cl1 Na3 Na1 47.52(5) 9_665 . ?
Na2 Na3 Na2 58.96(8) 3 . ?
Na1 Na3 Na2 88.98(6) 1_545 . ?
Na1 Na3 Na2 88.97(6) . . ?
Na1 Na3 Na2 88.97(6) . 3 ?
Na1 Na3 Na2 88.98(6) 1_545 3 ?
Na1 Na3 Na1 177.65(14) 1_545 . ?
Se2 Na1 Se2 69.96(5) 12_666 . ?
Se2 Na1 Se2 69.96(5) 10_566 . ?
Se2 Na1 Se2 69.96(5) 12_666 3_565 ?
Se2 Na1 Se2 108.35(9) 12_666 10_566 ?
Se2 Na1 Se2 69.96(5) 10_566 3_565 ?
Se2 Na1 Se2 108.35(9) 3_565 . ?
Se2 Na1 Na2 142.61(5) 12_666 11_565 ?
Se2 Na1 Na2 102.50(4) 10_566 11_565 ?
Se2 Na1 Na2 102.50(4) 12_666 9_665 ?
Se2 Na1 Na2 142.61(5) 10_566 9_665 ?
Se2 Na1 Na2 142.61(5) 3_565 9_665 ?
Se2 Na1 Na2 102.50(4) . 9_665 ?
Se2 Na1 Na2 142.61(5) . 11_565 ?
Se2 Na1 Na2 102.50(4) 3_565 11_565 ?
Se2 Na1 Na3 54.18(4) . . ?
Se2 Na1 Na3 54.18(4) 3_565 1_565 ?
Se2 Na1 Na3 54.18(4) 12_666 1_565 ?
Se2 Na1 Na3 124.14(7) 12_666 . ?
Se2 Na1 Na3 124.14(7) 3_565 . ?
Se2 Na1 Na3 124.14(7) 10_566 1_565 ?
Se2 Na1 Na3 124.14(7) . 1_565 ?
Se2 Na1 Na3 54.18(4) 10_566 . ?
Se2 Na1 Na1 54.17(5) . 10_566 ?
Se2 Na1 Na1 54.17(5) 10_566 10_566 ?
Se2 Na1 Na1 54.17(5) 3_565 10_566 ?
Se2 Na1 Na1 54.17(5) 12_666 10_566 ?
Cl1 Na1 Se2 144.96(3) 9_665 12_666 ?
Cl1 Na1 Se2 92.661(15) 11_565 3_565 ?
Cl1 Na1 Se2 92.661(15) 9_665 . ?
Cl1 Na1 Se2 144.96(3) 11_565 . ?
Cl1 Na1 Se2 144.96(3) 9_665 3_565 ?
Cl1 Na1 Se2 92.662(15) 9_665 10_566 ?
Cl1 Na1 Se2 144.96(3) 11_565 10_566 ?
Cl1 Na1 Se2 92.662(15) 11_565 12_666 ?
Cl1 Na1 Cl1 84.69(9) 9_665 11_565 ?
Cl1 Na1 Na2 50.34(5) 11_565 11_565 ?
Cl1 Na1 Na2 50.34(5) 9_665 11_565 ?
Cl1 Na1 Na2 50.34(5) 9_665 9_665 ?
Cl1 Na1 Na2 50.34(5) 11_565 9_665 ?
Cl1 Na1 Na3 48.83(5) 9_665 . ?
Cl1 Na1 Na3 133.52(11) 11_565 . ?
Cl1 Na1 Na3 48.83(5) 11_565 1_565 ?
Cl1 Na1 Na3 133.52(11) 9_665 1_565 ?
Cl1 Na1 Na1 137.66(5) 11_565 10_566 ?
Cl1 Na1 Na1 137.66(5) 9_665 10_566 ?
Na2 Na1 Na2 60.56(8) 11_565 9_665 ?
Na2 Na1 Na3 91.02(6) 9_665 1_565 ?
Na2 Na1 Na3 91.02(6) 11_565 1_565 ?
Na2 Na1 Na3 91.02(6) 11_565 . ?
Na2 Na1 Na3 91.02(6) 9_665 . ?
Na3 Na1 Na3 177.64(14) 1_565 . ?
Na1 Na1 Na2 149.72(4) 10_566 9_665 ?
Na1 Na1 Na2 149.72(4) 10_566 11_565 ?
Na1 Na1 Na3 88.82(7) 10_566 . ?
Na1 Na1 Na3 88.82(7) 10_566 1_565 ?
Na2 I1 Na2 80.646(10) 11_665 3_655 ?
Na2 I1 Na2 80.647(10) 9_665 . ?
Na2 I1 Na2 132.45(3) 9_665 3_655 ?
Na2 I1 Na2 80.91(8) . 3_655 ?
Na2 I1 Na2 80.38(8) 11_665 9_665 ?
Na2 I1 Na2 132.45(3) 11_665 . ?
Na3 I1 Na2 136.79(4) 9_665 3_655 ?
Na3 I1 Na2 136.79(4) 9_665 . ?
Na3 I1 Na2 82.80(5) 9_665 9_665 ?
Na3 I1 Na2 82.80(5) 9_665 11_665 ?
Na1 I1 Na2 137.31(4) 9_665 9_665 ?
Na1 I1 Na2 82.13(5) 9_665 3_655 ?
Na1 I1 Na2 82.13(5) 9_665 . ?
Na1 I1 Na2 137.31(4) 9_665 11_665 ?
Na1 I1 Na3 83.65(6) 9_665 9_665 ?
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 Se3 2.3865(5) . ?
Ga1 Se2 2.3927(3) . ?
Ga1 Se2 2.3927(3) 10_666 ?
Ga1 Se1 2.3955(5) . ?
Se3 Na2 2.978(2) 3_655 ?
Se3 Na2 2.978(2) . ?
Se2 Na3 3.2199(17) . ?
Se2 Na3 3.2199(17) 10_666 ?
Se2 Na1 3.1752(19) . ?
Se2 Na1 3.1752(19) 10_566 ?
Se1 Na2 2.995(2) 11_665 ?
Se1 Na2 2.995(2) 9_665 ?
Na2 Na2 3.772(5) 3 ?
Na2 Na2 3.79110(10) 9_655 ?
Na2 Na2 3.810(5) 3_655 ?
Na2 Na2 3.79110(11) 9_665 ?
Na2 Na1 3.779(3) 9_665 ?
Na2 I1 2.9363(19) . ?
Na3 Na1 3.79185(14) . ?
Na3 Na1 3.79185(14) 1_545 ?
Na1 Na1 3.717(6) 10_566 ?
