# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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. 
# 
#######################################################################

data_666
_database_code_depnum_ccdc_archive 'CCDC 1483616'
_audit_update_record             
;
2016-06-06 deposited with the CCDC.
2016-10-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Ge4 Na9 S12 Sb'
_chemical_formula_weight         1003.74

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C2/m  '

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

_cell_length_a                   7.5857(7)
_cell_length_b                   11.5743(11)
_cell_length_c                   6.8175(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 106.587(3)
_cell_angle_gamma                90.00
_cell_volume                     573.66(12)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    1898
_cell_measurement_theta_min      3.12
_cell_measurement_theta_max      26.68

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.119
_exptl_crystal_size_mid          0.101
_exptl_crystal_size_min          0.084
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.905
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             470
_exptl_absorpt_coefficient_mu    7.595
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5745
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            3251
_diffrn_reflns_av_R_equivalents  0.0233
_diffrn_reflns_av_sigmaI/netI    0.0185
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_theta_min         3.12
_diffrn_reflns_theta_max         24.98
_reflns_number_total             512
_reflns_number_gt                474
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0216P)²+0.8587P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   ?
_refine_ls_hydrogen_treatment    ?
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         512
_refine_ls_number_parameters     36
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0212
_refine_ls_R_factor_gt           0.0184
_refine_ls_wR_factor_ref         0.0429
_refine_ls_wR_factor_gt          0.0421
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_restrained_S_all      1.081
_refine_ls_shift/su_max          0.000
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.16461(6) 0.5000 0.55624(6) 0.01248(16) Uani 1 2 d S . .
Sb1 Sb 0.0000 0.18408(7) 0.5000 0.0195(2) Uani 0.25 2 d SP . .
Na1 Na 0.0000 0.18408(7) 0.5000 0.0195(2) Uani 0.75 2 d SP . .
S1 S 0.25302(11) 0.34189(7) 0.74327(10) 0.0244(2) Uani 1 1 d . . .
S2 S 0.26546(16) 0.5000 0.28352(15) 0.0254(3) Uani 1 2 d S . .
Na2 Na 0.5000 0.5000 0.0000 0.0291(6) Uani 1 4 d S . .
Na3 Na 0.0000 0.34159(17) 0.0000 0.0321(5) Uani 1 2 d S . .


_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
Ge1 S2 2.2033(12) . ?
Ge1 S1 2.2218(8) 6_565 ?
Ge1 S1 2.2218(8) . ?
Ge1 Ge1 2.3940(8) 5_566 ?
Ge1 Na2 3.3512(5) 1_556 ?
Ge1 Na1 3.4229(6) 3 ?
Ge1 Na1 3.4229(6) 7_556 ?
Sb1 S1 2.8202(9) . ?
Sb1 S1 2.8202(9) 2_556 ?
Sb1 S1 2.8504(9) 8_455 ?
Sb1 S1 2.8504(9) 7_556 ?
Sb1 S2 2.8954(9) 3_445 ?
Sb1 S2 2.8954(9) 7_556 ?
S1 Na2 2.8373(8) 1_556 ?
S1 Sb1 2.8504(9) 7_556 ?
S1 Na1 2.8504(9) 7_556 ?
S1 Na3 2.9437(9) 1_556 ?
S1 Na3 3.0349(16) 7_556 ?
S2 Na1 2.8954(9) 3 ?
S2 Sb1 2.8954(9) 3 ?
S2 Na1 2.8954(9) 7_556 ?
S2 Sb1 2.8954(9) 7_556 ?
S2 Na2 2.9774(12) . ?
S2 Na3 2.9884(15) . ?
S2 Na3 2.9884(15) 5_565 ?
Na2 S1 2.8373(8) 1_554 ?
Na2 S1 2.8373(8) 5_666 ?
Na2 S1 2.8373(8) 2_656 ?
Na2 S1 2.8373(8) 6_564 ?
Na2 S2 2.9774(12) 5_665 ?
Na2 Ge1 3.3512(5) 5_666 ?
Na2 Ge1 3.3513(5) 1_554 ?
Na2 Na3 3.954(2) 7 ?
Na2 Na3 3.954(2) 3 ?
Na2 Na1 4.0198(6) 7 ?
Na2 Na1 4.0198(6) 3 ?
Na3 S1 2.9437(9) 2_556 ?
Na3 S1 2.9437(9) 1_554 ?
Na3 S2 2.9884(15) 5_565 ?
Na3 S1 3.0349(16) 8_454 ?
Na3 S1 3.0349(16) 7_556 ?
Na3 Na3 3.667(4) 5_565 ?
Na3 Na1 3.8657(11) 1_554 ?
Na3 Na2 3.954(2) 3_445 ?
Na3 Na2 4.2128(9) 1_455 ?

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
S2 Ge1 S1 111.32(3) . 6_565 ?
S2 Ge1 S1 111.32(3) . . ?
S1 Ge1 S1 110.91(4) 6_565 . ?
S2 Ge1 Ge1 108.15(4) . 5_566 ?
S1 Ge1 Ge1 107.47(3) 6_565 5_566 ?
S1 Ge1 Ge1 107.47(3) . 5_566 ?
S2 Ge1 Na2 113.88(4) . 1_556 ?
S1 Ge1 Na2 56.97(2) 6_565 1_556 ?
S1 Ge1 Na2 56.97(2) . 1_556 ?
Ge1 Ge1 Na2 137.98(3) 5_566 1_556 ?
S2 Ge1 Na1 57.13(2) . 3 ?
S1 Ge1 Na1 55.90(3) 6_565 3 ?
S1 Ge1 Na1 117.69(3) . 3 ?
Ge1 Ge1 Na1 134.819(14) 5_566 3 ?
Na2 Ge1 Na1 72.789(10) 1_556 3 ?
S2 Ge1 Na1 57.13(2) . 7_556 ?
S1 Ge1 Na1 117.69(3) 6_565 7_556 ?
S1 Ge1 Na1 55.90(3) . 7_556 ?
Ge1 Ge1 Na1 134.819(14) 5_566 7_556 ?
Na2 Ge1 Na1 72.789(10) 1_556 7_556 ?
Na1 Ge1 Na1 76.99(2) 3 7_556 ?
S1 Sb1 S1 99.27(4) . 2_556 ?
S1 Sb1 S1 100.15(3) . 8_455 ?
S1 Sb1 S1 87.73(3) 2_556 8_455 ?
S1 Sb1 S1 87.73(3) . 7_556 ?
S1 Sb1 S1 100.15(3) 2_556 7_556 ?
S1 Sb1 S1 167.90(5) 8_455 7_556 ?
S1 Sb1 S2 172.90(3) . 3_445 ?
S1 Sb1 S2 87.75(2) 2_556 3_445 ?
S1 Sb1 S2 78.97(3) 8_455 3_445 ?
S1 Sb1 S2 92.07(3) 7_556 3_445 ?
S1 Sb1 S2 87.75(2) . 7_556 ?
S1 Sb1 S2 172.90(3) 2_556 7_556 ?
S1 Sb1 S2 92.07(3) 8_455 7_556 ?
S1 Sb1 S2 78.97(3) 7_556 7_556 ?
S2 Sb1 S2 85.24(4) 3_445 7_556 ?
Ge1 S1 Sb1 98.78(3) . . ?
Ge1 S1 Na2 81.99(3) . 1_556 ?
Sb1 S1 Na2 177.72(3) . 1_556 ?
Ge1 S1 Sb1 83.90(3) . 7_556 ?
Sb1 S1 Sb1 92.27(3) . 7_556 ?
Na2 S1 Sb1 89.94(3) 1_556 7_556 ?
Ge1 S1 Na1 83.90(3) . 7_556 ?
Sb1 S1 Na1 92.27(3) . 7_556 ?
Na2 S1 Na1 89.94(3) 1_556 7_556 ?
Sb1 S1 Na1 0.00(3) 7_556 7_556 ?
Ge1 S1 Na3 101.59(5) . 1_556 ?
Sb1 S1 Na3 84.21(3) . 1_556 ?
Na2 S1 Na3 93.54(3) 1_556 1_556 ?
Sb1 S1 Na3 173.85(5) 7_556 1_556 ?
Na1 S1 Na3 173.85(5) 7_556 1_556 ?
Ge1 S1 Na3 160.53(4) . 7_556 ?
Sb1 S1 Na3 95.19(4) . 7_556 ?
Na2 S1 Na3 84.57(3) 1_556 7_556 ?
Sb1 S1 Na3 82.05(3) 7_556 7_556 ?
Na1 S1 Na3 82.05(3) 7_556 7_556 ?
Na3 S1 Na3 93.22(3) 1_556 7_556 ?
Ge1 S2 Na1 83.15(3) . 3 ?
Ge1 S2 Sb1 83.15(3) . 3 ?
Na1 S2 Sb1 0.00(2) 3 3 ?
Ge1 S2 Na1 83.15(3) . 7_556 ?
Na1 S2 Na1 94.76(4) 3 7_556 ?
Sb1 S2 Na1 94.76(4) 3 7_556 ?
Ge1 S2 Sb1 83.15(3) . 7_556 ?
Na1 S2 Sb1 94.76(4) 3 7_556 ?
Sb1 S2 Sb1 94.76(4) 3 7_556 ?
Na1 S2 Sb1 0.00(2) 7_556 7_556 ?
Ge1 S2 Na2 164.50(5) . . ?
Na1 S2 Na2 86.38(3) 3 . ?
Sb1 S2 Na2 86.38(3) 3 . ?
Na1 S2 Na2 86.38(3) 7_556 . ?
Sb1 S2 Na2 86.38(3) 7_556 . ?
Ge1 S2 Na3 102.33(4) . . ?
Na1 S2 Na3 169.64(4) 3 . ?
Sb1 S2 Na3 169.64(4) 3 . ?
Na1 S2 Na3 94.63(3) 7_556 . ?
Sb1 S2 Na3 94.63(3) 7_556 . ?
Na2 S2 Na3 89.85(3) . . ?
Ge1 S2 Na3 102.33(4) . 5_565 ?
Na1 S2 Na3 94.63(3) 3 5_565 ?
Sb1 S2 Na3 94.63(3) 3 5_565 ?
Na1 S2 Na3 169.64(4) 7_556 5_565 ?
Sb1 S2 Na3 169.64(4) 7_556 5_565 ?
Na2 S2 Na3 89.85(3) . 5_565 ?
Na3 S2 Na3 75.69(6) . 5_565 ?
S1 Na2 S1 180.0 1_554 5_666 ?
S1 Na2 S1 99.67(3) 1_554 2_656 ?
S1 Na2 S1 80.33(3) 5_666 2_656 ?
S1 Na2 S1 80.33(3) 1_554 6_564 ?
S1 Na2 S1 99.67(3) 5_666 6_564 ?
S1 Na2 S1 180.0 2_656 6_564 ?
S1 Na2 S2 89.36(2) 1_554 . ?
S1 Na2 S2 90.64(2) 5_666 . ?
S1 Na2 S2 90.64(2) 2_656 . ?
S1 Na2 S2 89.36(2) 6_564 . ?
S1 Na2 S2 90.64(2) 1_554 5_665 ?
S1 Na2 S2 89.36(2) 5_666 5_665 ?
S1 Na2 S2 89.36(2) 2_656 5_665 ?
S1 Na2 S2 90.64(2) 6_564 5_665 ?
S2 Na2 S2 180.0 . 5_665 ?
S1 Na2 Ge1 138.965(15) 1_554 5_666 ?
S1 Na2 Ge1 41.035(15) 5_666 5_666 ?
S1 Na2 Ge1 41.035(15) 2_656 5_666 ?
S1 Na2 Ge1 138.965(15) 6_564 5_666 ?
S2 Na2 Ge1 81.62(2) . 5_666 ?
S2 Na2 Ge1 98.38(2) 5_665 5_666 ?
S1 Na2 Ge1 41.035(15) 1_554 1_554 ?
S1 Na2 Ge1 138.965(15) 5_666 1_554 ?
S1 Na2 Ge1 138.965(15) 2_656 1_554 ?
S1 Na2 Ge1 41.035(15) 6_564 1_554 ?
S2 Na2 Ge1 98.38(2) . 1_554 ?
S2 Na2 Ge1 81.62(2) 5_665 1_554 ?
Ge1 Na2 Ge1 180.0 5_666 1_554 ?
S1 Na2 Na3 49.834(16) 1_554 7 ?
S1 Na2 Na3 130.166(16) 5_666 7 ?
S1 Na2 Na3 49.834(16) 2_656 7 ?
S1 Na2 Na3 130.166(16) 6_564 7 ?
S2 Na2 Na3 90.0 . 7 ?
S2 Na2 Na3 90.0 5_665 7 ?
Ge1 Na2 Na3 90.0 5_666 7 ?
Ge1 Na2 Na3 90.0 1_554 7 ?
S1 Na2 Na3 130.166(16) 1_554 3 ?
S1 Na2 Na3 49.834(16) 5_666 3 ?
S1 Na2 Na3 130.166(16) 2_656 3 ?
S1 Na2 Na3 49.834(16) 6_564 3 ?
S2 Na2 Na3 90.0 . 3 ?
S2 Na2 Na3 90.0 5_665 3 ?
Ge1 Na2 Na3 90.0 5_666 3 ?
Ge1 Na2 Na3 90.0 1_554 3 ?
Na3 Na2 Na3 180.0 7 3 ?
S1 Na2 Na1 45.161(18) 1_554 7 ?
S1 Na2 Na1 134.839(18) 5_666 7 ?
S1 Na2 Na1 91.226(19) 2_656 7 ?
S1 Na2 Na1 88.774(19) 6_564 7 ?
S2 Na2 Na1 134.040(16) . 7 ?
S2 Na2 Na1 45.960(16) 5_665 7 ?
Ge1 Na2 Na1 125.573(10) 5_666 7 ?
Ge1 Na2 Na1 54.427(10) 1_554 7 ?
Na3 Na2 Na1 57.993(10) 7 7 ?
Na3 Na2 Na1 122.007(10) 3 7 ?
S1 Na2 Na1 134.839(18) 1_554 3 ?
S1 Na2 Na1 45.161(18) 5_666 3 ?
S1 Na2 Na1 88.774(19) 2_656 3 ?
S1 Na2 Na1 91.226(19) 6_564 3 ?
S2 Na2 Na1 45.960(16) . 3 ?
S2 Na2 Na1 134.040(16) 5_665 3 ?
Ge1 Na2 Na1 54.427(10) 5_666 3 ?
Ge1 Na2 Na1 125.573(10) 1_554 3 ?
Na3 Na2 Na1 122.007(10) 7 3 ?
Na3 Na2 Na1 57.993(10) 3 3 ?
Na1 Na2 Na1 180.000(18) 7 3 ?
S1 Na3 S1 179.87(8) 2_556 1_554 ?
S1 Na3 S2 92.76(4) 2_556 . ?
S1 Na3 S2 87.16(4) 1_554 . ?
S1 Na3 S2 87.16(4) 2_556 5_565 ?
S1 Na3 S2 92.76(4) 1_554 5_565 ?
S2 Na3 S2 104.31(6) . 5_565 ?
S1 Na3 S1 86.78(3) 2_556 8_454 ?
S1 Na3 S1 93.32(4) 1_554 8_454 ?
S2 Na3 S1 173.39(6) . 8_454 ?
S2 Na3 S1 82.26(2) 5_565 8_454 ?
S1 Na3 S1 93.32(4) 2_556 7_556 ?
S1 Na3 S1 86.78(3) 1_554 7_556 ?
S2 Na3 S1 82.26(2) . 7_556 ?
S2 Na3 S1 173.39(6) 5_565 7_556 ?
S1 Na3 S1 91.19(6) 8_454 7_556 ?
S1 Na3 Na3 89.93(4) 2_556 5_565 ?
S1 Na3 Na3 89.93(4) 1_554 5_565 ?
S2 Na3 Na3 52.15(3) . 5_565 ?
S2 Na3 Na3 52.15(3) 5_565 5_565 ?
S1 Na3 Na3 134.40(3) 8_454 5_565 ?
S1 Na3 Na3 134.40(3) 7_556 5_565 ?
S1 Na3 Na1 133.55(4) 2_556 1_554 ?
S1 Na3 Na1 46.54(2) 1_554 1_554 ?
S2 Na3 Na1 133.64(2) . 1_554 ?
S2 Na3 Na1 83.61(2) 5_565 1_554 ?
S1 Na3 Na1 46.91(2) 8_454 1_554 ?
S1 Na3 Na1 91.33(4) 7_556 1_554 ?
Na3 Na3 Na1 118.14(3) 5_565 1_554 ?
S1 Na3 Na2 90.07(4) 2_556 3_445 ?
S1 Na3 Na2 90.07(4) 1_554 3_445 ?
S2 Na3 Na2 127.85(3) . 3_445 ?
S2 Na3 Na2 127.85(3) 5_565 3_445 ?
S1 Na3 Na2 45.60(3) 8_454 3_445 ?
S1 Na3 Na2 45.60(3) 7_556 3_445 ?
Na3 Na3 Na2 180.0 5_565 3_445 ?
Na1 Na3 Na2 61.86(3) 1_554 3_445 ?
S1 Na3 Na2 42.24(2) 2_556 1_455 ?
S1 Na3 Na2 137.68(4) 1_554 1_455 ?
S2 Na3 Na2 99.99(4) . 1_455 ?
S2 Na3 Na2 44.97(2) 5_565 1_455 ?
S1 Na3 Na2 84.087(17) 8_454 1_455 ?
S1 Na3 Na2 135.40(2) 7_556 1_455 ?
Na3 Na3 Na2 64.20(2) 5_565 1_455 ?
Na1 Na3 Na2 115.588(4) 1_554 1_455 ?
Na2 Na3 Na2 115.80(2) 3_445 1_455 ?

_diffrn_measured_fraction_theta_max 0.961
_diffrn_reflns_theta_full        24.98
_diffrn_measured_fraction_theta_full 0.961
_refine_diff_density_max         0.525
_refine_diff_density_min         -0.443
_refine_diff_density_rms         0.088
####################################################################### 
# 
# 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. 
# 
#######################################################################

data_53
_database_code_depnum_ccdc_archive 'CCDC 1483617'
_audit_update_record             
;
2016-06-06 deposited with the CCDC.
2016-10-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Ge4 Na9 Sb Se12'
_chemical_formula_weight         1566.54

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ge Ge 0.1547 1.8001 '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'
Sb Sb -0.5866 1.5461 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_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'
'-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                   8.950(10)
_cell_length_b                   24.33(3)
_cell_length_c                   7.066(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 122.103(11)
_cell_angle_gamma                90.00
_cell_volume                     1303(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    287
_cell_measurement_theta_min      2.81
_cell_measurement_theta_max      24.32

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.085
_exptl_crystal_size_mid          0.064
_exptl_crystal_size_min          0.053
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.992
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             1372
_exptl_absorpt_coefficient_mu    22.481
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4358
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            4036
_diffrn_reflns_av_R_equivalents  0.0754
_diffrn_reflns_av_sigmaI/netI    0.0927
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_theta_min         2.81
_diffrn_reflns_theta_max         27.63
_reflns_number_total             1518
_reflns_number_gt                747
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0423P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   ?
_refine_ls_hydrogen_treatment    ?
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00099(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         1518
_refine_ls_number_parameters     63
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1208
_refine_ls_R_factor_gt           0.0534
_refine_ls_wR_factor_ref         0.1462
_refine_ls_wR_factor_gt          0.1193
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_restrained_S_all      1.010
_refine_ls_shift/su_max          0.000
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.15863(15) 0.12484(6) 0.35440(18) 0.0166(4) Uani 1 1 d . . .
Se1 Se 0.25542(16) 0.12544(15) -0.26558(18) 0.0285(4) Uani 1 1 d . . .
Se2 Se 0.24537(16) 0.04475(10) 0.25382(19) 0.0249(6) Uani 1 1 d . . .
Se3 Se 0.25181(16) 0.20396(10) 0.25340(19) 0.0256(6) Uani 1 1 d . . .
Na1 Na 0.0000 -0.0419(2) 0.2500 0.0426(16) Uani 0.75 2 d SP . .
Sb1 Sb 0.0000 -0.0419(2) 0.2500 0.0426(16) Uani 0.25 2 d SP . .
Na3 Na 0.5000 0.1231(4) 0.2500 0.0351(18) Uani 1 2 d S . .
Na4 Na 0.0000 0.1995(4) -0.2500 0.031(3) Uani 1 2 d S . .
Na5 Na 0.5000 0.0384(4) 0.7500 0.017(2) Uani 1 2 d S . .
Na2 Na 0.5000 0.21542(17) 0.7500 0.0188(10) Uani 0.75 2 d SP . .
Sb2 Sb 0.5000 0.21542(17) 0.7500 0.0188(10) Uani 0.25 2 d SP . .


_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
Ge1 Se1 2.343(3) 1_556 ?
Ge1 Se2 2.343(3) . ?
Ge1 Se3 2.354(3) . ?
Ge1 Ge1 2.406(4) 2 ?
Se1 Ge1 2.343(3) 1_554 ?
Se1 Na4 2.959(8) . ?
Se1 Na5 3.005(7) 1_554 ?
Se1 Sb2 3.056(5) 1_554 ?
Se1 Na2 3.056(5) 1_554 ?
Se1 Na3 3.097(4) . ?
Se1 Na1 3.105(5) 5 ?
Se2 Na3 2.983(7) . ?
Se2 Na5 3.003(3) . ?
Se2 Sb1 3.032(3) 5 ?
Se2 Na1 3.032(3) 5 ?
Se2 Na1 3.033(5) . ?
Se2 Na5 3.058(7) 5_656 ?
Se3 Na3 2.976(7) . ?
Se3 Sb2 2.978(4) 7_556 ?
Se3 Na2 2.978(4) 7_556 ?
Se3 Na2 3.007(3) . ?
Se3 Na4 3.037(3) . ?
Se3 Na4 3.241(8) 7 ?
Na1 Se2 3.032(3) 6_556 ?
Na1 Se2 3.032(3) 5 ?
Na1 Se2 3.033(5) 2 ?
Na1 Se1 3.105(5) 5 ?
Na1 Se1 3.105(5) 6_556 ?
Na1 Na4 3.836(11) 5 ?
Na1 Na1 4.078(7) 5_556 ?
Na1 Na1 4.078(7) 5 ?
Na3 Se3 2.976(7) 2_655 ?
Na3 Se2 2.983(7) 2_655 ?
Na3 Se1 3.097(4) 2_655 ?
Na3 Ge1 3.504(4) 2_655 ?
Na3 Na5 3.930(15) 5_656 ?
Na3 Na5 4.091(7) 1_554 ?
Na3 Na2 4.186(7) 1_554 ?
Na4 Se1 2.959(8) 2_554 ?
Na4 Se3 3.037(3) 2_554 ?
Na4 Se3 3.241(8) 7 ?
Na4 Se3 3.241(8) 8_455 ?
Na4 Na1 3.836(11) 5 ?
Na4 Na2 4.095(7) 7_556 ?
Na4 Na2 4.095(7) 7 ?
Na5 Se2 3.003(3) 2_656 ?
Na5 Se1 3.005(7) 2_655 ?
Na5 Se1 3.005(7) 1_556 ?
Na5 Se2 3.058(7) 6_556 ?
Na5 Se2 3.058(7) 5_656 ?
Na5 Ge1 3.535(6) 2_656 ?
Na5 Na3 3.930(15) 5_656 ?
Na5 Na5 3.997(9) 5_656 ?
Na5 Na5 3.997(9) 5_657 ?
Na5 Na3 4.091(7) 1_556 ?
Na2 Se3 2.978(4) 8_556 ?
Na2 Se3 2.978(4) 7_556 ?
Na2 Se3 3.007(3) 2_656 ?
Na2 Se1 3.056(5) 1_556 ?
Na2 Se1 3.056(5) 2_655 ?
Na2 Na4 4.095(7) 7_556 ?
Na2 Na4 4.095(7) 7 ?
Na2 Na3 4.186(7) 1_556 ?

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
Se1 Ge1 Se2 111.87(11) 1_556 . ?
Se1 Ge1 Se3 111.57(12) 1_556 . ?
Se2 Ge1 Se3 111.11(10) . . ?
Se1 Ge1 Ge1 107.45(8) 1_556 2 ?
Se2 Ge1 Ge1 106.70(7) . 2 ?
Se3 Ge1 Ge1 107.87(7) . 2 ?
Ge1 Se1 Na4 102.95(9) 1_554 . ?
Ge1 Se1 Na5 81.73(8) 1_554 1_554 ?
Na4 Se1 Na5 171.9(3) . 1_554 ?
Ge1 Se1 Sb2 82.37(8) 1_554 1_554 ?
Na4 Se1 Sb2 96.6(2) . 1_554 ?
Na5 Se1 Sb2 90.55(15) 1_554 1_554 ?
Ge1 Se1 Na2 82.37(8) 1_554 1_554 ?
Na4 Se1 Na2 96.6(2) . 1_554 ?
Na5 Se1 Na2 90.55(15) 1_554 1_554 ?
Sb2 Se1 Na2 0.00(11) 1_554 1_554 ?
Ge1 Se1 Na3 161.41(7) 1_554 . ?
Na4 Se1 Na3 92.54(13) . . ?
Na5 Se1 Na3 84.17(14) 1_554 . ?
Sb2 Se1 Na3 85.73(15) 1_554 . ?
Na2 Se1 Na3 85.73(15) 1_554 . ?
Ge1 Se1 Na1 101.88(9) 1_554 5 ?
Na4 Se1 Na1 78.44(18) . 5 ?
Na5 Se1 Na1 94.2(2) 1_554 5 ?
Sb2 Se1 Na1 174.04(14) 1_554 5 ?
Na2 Se1 Na1 174.04(14) 1_554 5 ?
Na3 Se1 Na1 91.14(14) . 5 ?
Ge1 Se2 Na3 81.31(19) . . ?
Ge1 Se2 Na5 81.77(15) . . ?
Na3 Se2 Na5 86.22(12) . . ?
Ge1 Se2 Sb1 103.03(11) . 5 ?
Na3 Se2 Sb1 94.84(9) . 5 ?
Na5 Se2 Sb1 175.2(2) . 5 ?
Ge1 Se2 Na1 103.03(11) . 5 ?
Na3 Se2 Na1 94.84(9) . 5 ?
Na5 Se2 Na1 175.2(2) . 5 ?
Sb1 Se2 Na1 0.0 5 5 ?
Ge1 Se2 Na1 103.03(12) . . ?
Na3 Se2 Na1 175.65(19) . . ?
Na5 Se2 Na1 94.09(12) . . ?
Sb1 Se2 Na1 84.51(9) 5 . ?
Na1 Se2 Na1 84.51(9) 5 . ?
Ge1 Se2 Na5 157.12(13) . 5_656 ?
Na3 Se2 Na5 81.2(2) . 5_656 ?
Na5 Se2 Na5 82.50(13) . 5_656 ?
Sb1 Se2 Na5 93.01(9) 5 5_656 ?
Na1 Se2 Na5 93.01(9) 5 5_656 ?
Na1 Se2 Na5 94.6(2) . 5_656 ?
Ge1 Se3 Na3 81.28(19) . . ?
Ge1 Se3 Sb2 98.77(11) . 7_556 ?
Na3 Se3 Sb2 179.20(6) . 7_556 ?
Ge1 Se3 Na2 98.77(11) . 7_556 ?
Na3 Se3 Na2 179.20(6) . 7_556 ?
Sb2 Se3 Na2 0.0 7_556 7_556 ?
Ge1 Se3 Na2 83.28(10) . . ?
Na3 Se3 Na2 88.80(8) . . ?
Sb2 Se3 Na2 92.00(8) 7_556 . ?
Na2 Se3 Na2 92.00(8) 7_556 . ?
Ge1 Se3 Na4 99.44(18) . . ?
Na3 Se3 Na4 93.41(15) . . ?
Sb2 Se3 Na4 85.79(15) 7_556 . ?
Na2 Se3 Na4 85.79(15) 7_556 . ?
Na2 Se3 Na4 176.7(2) . . ?
Ge1 Se3 Na4 161.65(10) . 7 ?
Na3 Se3 Na4 87.8(2) . 7 ?
Sb2 Se3 Na4 92.37(19) 7_556 7 ?
Na2 Se3 Na4 92.37(19) 7_556 7 ?
Na2 Se3 Na4 81.80(8) . 7 ?
Na4 Se3 Na4 95.85(15) . 7 ?
Se2 Na1 Se2 177.3(2) 6_556 5 ?
Se2 Na1 Se2 86.36(9) 6_556 . ?
Se2 Na1 Se2 95.49(9) 5 . ?
Se2 Na1 Se2 95.49(9) 6_556 2 ?
Se2 Na1 Se2 86.36(9) 5 2 ?
Se2 Na1 Se2 92.0(2) . 2 ?
Se2 Na1 Se1 91.76(9) 6_556 5 ?
Se2 Na1 Se1 86.50(9) 5 5 ?
Se2 Na1 Se1 176.25(15) . 5 ?
Se2 Na1 Se1 84.96(12) 2 5 ?
Se2 Na1 Se1 86.50(9) 6_556 6_556 ?
Se2 Na1 Se1 91.76(9) 5 6_556 ?
Se2 Na1 Se1 84.96(12) . 6_556 ?
Se2 Na1 Se1 176.25(15) 2 6_556 ?
Se1 Na1 Se1 98.2(2) 5 6_556 ?
Se2 Na1 Na4 88.67(10) 6_556 5 ?
Se2 Na1 Na4 88.67(10) 5 5 ?
Se2 Na1 Na4 134.01(10) . 5 ?
Se2 Na1 Na4 134.01(10) 2 5 ?
Se1 Na1 Na4 49.09(11) 5 5 ?
Se1 Na1 Na4 49.09(11) 6_556 5 ?
Se2 Na1 Na1 47.76(7) 6_556 5_556 ?
Se2 Na1 Na1 134.05(15) 5 5_556 ?
Se2 Na1 Na1 88.77(17) . 5_556 ?
Se2 Na1 Na1 47.73(9) 2 5_556 ?
Se1 Na1 Na1 87.56(8) 5 5_556 ?
Se1 Na1 Na1 134.17(7) 6_556 5_556 ?
Na4 Na1 Na1 119.97(14) 5 5_556 ?
Se2 Na1 Na1 134.05(15) 6_556 5 ?
Se2 Na1 Na1 47.76(7) 5 5 ?
Se2 Na1 Na1 47.73(9) . 5 ?
Se2 Na1 Na1 88.77(17) 2 5 ?
Se1 Na1 Na1 134.17(7) 5 5 ?
Se1 Na1 Na1 87.56(8) 6_556 5 ?
Na4 Na1 Na1 119.97(14) 5 5 ?
Na1 Na1 Na1 120.1(3) 5_556 5 ?
Se3 Na3 Se3 97.3(3) 2_655 . ?
Se3 Na3 Se2 178.4(3) 2_655 . ?
Se3 Na3 Se2 81.10(10) . . ?
Se3 Na3 Se2 81.10(10) 2_655 2_655 ?
Se3 Na3 Se2 178.4(3) . 2_655 ?
Se2 Na3 Se2 100.5(3) . 2_655 ?
Se3 Na3 Se1 86.19(14) 2_655 2_655 ?
Se3 Na3 Se1 92.44(15) . 2_655 ?
Se2 Na3 Se1 93.83(14) . 2_655 ?
Se2 Na3 Se1 87.50(13) 2_655 2_655 ?
Se3 Na3 Se1 92.44(15) 2_655 . ?
Se3 Na3 Se1 86.19(14) . . ?
Se2 Na3 Se1 87.50(13) . . ?
Se2 Na3 Se1 93.83(14) 2_655 . ?
Se1 Na3 Se1 177.9(4) 2_655 . ?
Se3 Na3 Ge1 41.62(7) 2_655 2_655 ?
Se3 Na3 Ge1 137.0(3) . 2_655 ?
Se2 Na3 Ge1 139.9(3) . 2_655 ?
Se2 Na3 Ge1 41.39(7) 2_655 2_655 ?
Se1 Na3 Ge1 95.57(8) 2_655 2_655 ?
Se1 Na3 Ge1 84.40(8) . 2_655 ?
Se3 Na3 Na5 131.35(16) 2_655 5_656 ?
Se3 Na3 Na5 131.35(16) . 5_656 ?
Se2 Na3 Na5 50.25(16) . 5_656 ?
Se2 Na3 Na5 50.25(16) 2_655 5_656 ?
Se1 Na3 Na5 91.04(19) 2_655 5_656 ?
Se1 Na3 Na5 91.04(19) . 5_656 ?
Ge1 Na3 Na5 90.68(16) 2_655 5_656 ?
Se3 Na3 Na5 89.05(10) 2_655 1_554 ?
Se3 Na3 Na5 133.04(7) . 1_554 ?
Se2 Na3 Na5 92.1(2) . 1_554 ?
Se2 Na3 Na5 47.10(9) 2_655 1_554 ?
Se1 Na3 Na5 134.5(2) 2_655 1_554 ?
Se1 Na3 Na5 46.96(12) . 1_554 ?
Ge1 Na3 Na5 54.82(8) 2_655 1_554 ?
Na5 Na3 Na5 59.74(16) 5_656 1_554 ?
Se3 Na3 Na2 45.90(9) 2_655 1_554 ?
Se3 Na3 Na2 89.3(2) . 1_554 ?
Se2 Na3 Na2 133.89(5) . 1_554 ?
Se2 Na3 Na2 89.58(8) 2_655 1_554 ?
Se1 Na3 Na2 131.8(2) 2_655 1_554 ?
Se1 Na3 Na2 46.73(11) . 1_554 ?
Ge1 Na3 Na2 54.89(7) 2_655 1_554 ?
Na5 Na3 Na2 122.44(13) 5_656 1_554 ?
Na5 Na3 Na2 62.70(13) 1_554 1_554 ?
Se1 Na4 Se1 104.9(4) . 2_554 ?
Se1 Na4 Se3 87.60(13) . . ?
Se1 Na4 Se3 94.89(14) 2_554 . ?
Se1 Na4 Se3 94.89(14) . 2_554 ?
Se1 Na4 Se3 87.60(13) 2_554 2_554 ?
Se3 Na4 Se3 175.9(4) . 2_554 ?
Se1 Na4 Se3 83.97(13) . 7 ?
Se1 Na4 Se3 171.0(3) 2_554 7 ?
Se3 Na4 Se3 84.15(15) . 7 ?
Se3 Na4 Se3 92.89(17) 2_554 7 ?
Se1 Na4 Se3 171.0(3) . 8_455 ?
Se1 Na4 Se3 83.97(13) 2_554 8_455 ?
Se3 Na4 Se3 92.89(17) . 8_455 ?
Se3 Na4 Se3 84.15(15) 2_554 8_455 ?
Se3 Na4 Se3 87.1(3) 7 8_455 ?
Se1 Na4 Na1 52.47(19) . 5 ?
Se1 Na4 Na1 52.47(19) 2_554 5 ?
Se3 Na4 Na1 92.0(2) . 5 ?
Se3 Na4 Na1 92.0(2) 2_554 5 ?
Se3 Na4 Na1 136.43(14) 7 5 ?
Se3 Na4 Na1 136.43(14) 8_455 5 ?
Se1 Na4 Na2 133.97(5) . 7_556 ?
Se1 Na4 Na2 85.50(9) 2_554 7_556 ?
Se3 Na4 Na2 46.50(10) . 7_556 ?
Se3 Na4 Na2 130.7(2) 2_554 7_556 ?
Se3 Na4 Na2 87.4(2) 7 7_556 ?
Se3 Na4 Na2 46.62(9) 8_455 7_556 ?
Na1 Na4 Na2 120.36(15) 5 7_556 ?
Se1 Na4 Na2 85.50(9) . 7 ?
Se1 Na4 Na2 133.97(5) 2_554 7 ?
Se3 Na4 Na2 130.7(2) . 7 ?
Se3 Na4 Na2 46.50(10) 2_554 7 ?
Se3 Na4 Na2 46.62(9) 7 7 ?
Se3 Na4 Na2 87.4(2) 8_455 7 ?
Na1 Na4 Na2 120.36(15) 5 7 ?
Na2 Na4 Na2 119.3(3) 7_556 7 ?
Se2 Na5 Se2 174.1(3) 2_656 . ?
Se2 Na5 Se1 80.50(12) 2_656 2_655 ?
Se2 Na5 Se1 95.31(14) . 2_655 ?
Se2 Na5 Se1 95.31(14) 2_656 1_556 ?
Se2 Na5 Se1 80.50(12) . 1_556 ?
Se1 Na5 Se1 90.4(3) 2_655 1_556 ?
Se2 Na5 Se2 97.50(13) 2_656 6_556 ?
Se2 Na5 Se2 86.42(11) . 6_556 ?
Se1 Na5 Se2 175.9(2) 2_655 6_556 ?
Se1 Na5 Se2 86.26(12) 1_556 6_556 ?
Se2 Na5 Se2 86.42(11) 2_656 5_656 ?
Se2 Na5 Se2 97.50(13) . 5_656 ?
Se1 Na5 Se2 86.26(12) 2_655 5_656 ?
Se1 Na5 Se2 175.9(2) 1_556 5_656 ?
Se2 Na5 Se2 97.2(3) 6_556 5_656 ?
Se2 Na5 Ge1 41.01(7) 2_656 2_656 ?
Se2 Na5 Ge1 133.9(2) . 2_656 ?
Se1 Na5 Ge1 40.99(10) 2_655 2_656 ?
Se1 Na5 Ge1 85.2(2) 1_556 2_656 ?
Se2 Na5 Ge1 136.19(7) 6_556 2_656 ?
Se2 Na5 Ge1 93.76(10) 5_656 2_656 ?
Se2 Na5 Na3 92.95(16) 2_656 5_656 ?
Se2 Na5 Na3 92.95(16) . 5_656 ?
Se1 Na5 Na3 134.80(14) 2_655 5_656 ?
Se1 Na5 Na3 134.80(14) 1_556 5_656 ?
Se2 Na5 Na3 48.58(15) 6_556 5_656 ?
Se2 Na5 Na3 48.58(15) 5_656 5_656 ?
Ge1 Na5 Na3 126.51(12) 2_656 5_656 ?
Se2 Na5 Na5 134.4(2) 2_656 5_656 ?
Se2 Na5 Na5 49.34(8) . 5_656 ?
Se1 Na5 Na5 91.12(12) 2_655 5_656 ?
Se1 Na5 Na5 129.73(13) 1_556 5_656 ?
Se2 Na5 Na5 92.8(3) 6_556 5_656 ?
Se2 Na5 Na5 48.15(13) 5_656 5_656 ?
Ge1 Na5 Na5 124.83(10) 2_656 5_656 ?
Na3 Na5 Na5 62.1(2) 5_656 5_656 ?
Se2 Na5 Na5 49.34(8) 2_656 5_657 ?
Se2 Na5 Na5 134.4(2) . 5_657 ?
Se1 Na5 Na5 129.73(13) 2_655 5_657 ?
Se1 Na5 Na5 91.12(12) 1_556 5_657 ?
Se2 Na5 Na5 48.15(13) 6_556 5_657 ?
Se2 Na5 Na5 92.8(3) 5_656 5_657 ?
Ge1 Na5 Na5 89.15(12) 2_656 5_657 ?
Na3 Na5 Na5 62.1(2) 5_656 5_657 ?
Na5 Na5 Na5 124.3(4) 5_656 5_657 ?
Se2 Na5 Na3 46.68(11) 2_656 1_556 ?
Se2 Na5 Na3 129.36(19) . 1_556 ?
Se1 Na5 Na3 87.0(2) 2_655 1_556 ?
Se1 Na5 Na3 48.87(10) 1_556 1_556 ?
Se2 Na5 Na3 89.07(11) 6_556 1_556 ?
Se2 Na5 Na3 133.08(8) 5_656 1_556 ?
Ge1 Na5 Na3 54.11(11) 2_656 1_556 ?
Na3 Na5 Na3 120.26(16) 5_656 1_556 ?
Na5 Na5 Na3 177.6(3) 5_656 1_556 ?
Na5 Na5 Na3 58.14(19) 5_657 1_556 ?
Se3 Na2 Se3 97.61(18) 8_556 7_556 ?
Se3 Na2 Se3 99.04(8) 8_556 . ?
Se3 Na2 Se3 88.00(8) 7_556 . ?
Se3 Na2 Se3 88.00(8) 8_556 2_656 ?
Se3 Na2 Se3 99.04(8) 7_556 2_656 ?
Se3 Na2 Se3 169.36(16) . 2_656 ?
Se3 Na2 Se1 175.22(13) 8_556 1_556 ?
Se3 Na2 Se1 86.97(12) 7_556 1_556 ?
Se3 Na2 Se1 79.67(8) . 1_556 ?
Se3 Na2 Se1 92.66(9) 2_656 1_556 ?
Se3 Na2 Se1 86.97(12) 8_556 2_655 ?
Se3 Na2 Se1 175.22(13) 7_556 2_655 ?
Se3 Na2 Se1 92.66(9) . 2_655 ?
Se3 Na2 Se1 79.67(8) 2_656 2_655 ?
Se1 Na2 Se1 88.50(18) 1_556 2_655 ?
Se3 Na2 Na4 90.41(15) 8_556 7_556 ?
Se3 Na2 Na4 47.71(8) 7_556 7_556 ?
Se3 Na2 Na4 135.65(11) . 7_556 ?
Se3 Na2 Na4 51.58(11) 2_656 7_556 ?
Se1 Na2 Na4 93.71(11) 1_556 7_556 ?
Se1 Na2 Na4 131.26(9) 2_655 7_556 ?
Se3 Na2 Na4 47.71(8) 8_556 7 ?
Se3 Na2 Na4 90.41(15) 7_556 7 ?
Se3 Na2 Na4 51.58(11) . 7 ?
Se3 Na2 Na4 135.65(11) 2_656 7 ?
Se1 Na2 Na4 131.26(9) 1_556 7 ?
Se1 Na2 Na4 93.71(11) 2_655 7 ?
Na4 Na2 Na4 119.3(3) 7_556 7 ?
Se3 Na2 Na3 133.30(6) 8_556 1_556 ?
Se3 Na2 Na3 91.18(11) 7_556 1_556 ?
Se3 Na2 Na3 127.15(13) . 1_556 ?
Se3 Na2 Na3 45.30(9) 2_656 1_556 ?
Se1 Na2 Na3 47.54(8) 1_556 1_556 ?
Se1 Na2 Na3 84.64(14) 2_655 1_556 ?
Na4 Na2 Na3 62.8(2) 7_556 1_556 ?
Na4 Na2 Na3 177.93(19) 7 1_556 ?

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
Se1 Ge1 Se2 Na3 -105.41(10) 1_556 . . . ?
Se3 Ge1 Se2 Na3 20.01(7) . . . . ?
Ge1 Ge1 Se2 Na3 137.35(9) 2 . . . ?
Se1 Ge1 Se2 Na5 -18.01(12) 1_556 . . . ?
Se3 Ge1 Se2 Na5 107.41(13) . . . . ?
Ge1 Ge1 Se2 Na5 -135.25(11) 2 . . . ?
Se1 Ge1 Se2 Sb1 161.60(8) 1_556 . . 5 ?
Se3 Ge1 Se2 Sb1 -72.99(12) . . . 5 ?
Ge1 Ge1 Se2 Sb1 44.36(9) 2 . . 5 ?
Se1 Ge1 Se2 Na1 161.60(8) 1_556 . . 5 ?
Se3 Ge1 Se2 Na1 -72.99(12) . . . 5 ?
Ge1 Ge1 Se2 Na1 44.36(9) 2 . . 5 ?
Se1 Ge1 Se2 Na1 74.31(10) 1_556 . . . ?
Se3 Ge1 Se2 Na1 -160.27(6) . . . . ?
Ge1 Ge1 Se2 Na1 -42.93(10) 2 . . . ?
Se1 Ge1 Se2 Na5 -65.0(3) 1_556 . . 5_656 ?
Se3 Ge1 Se2 Na5 60.4(3) . . . 5_656 ?
Ge1 Ge1 Se2 Na5 177.7(3) 2 . . 5_656 ?
Se1 Ge1 Se3 Na3 105.53(10) 1_556 . . . ?
Se2 Ge1 Se3 Na3 -20.05(7) . . . . ?
Ge1 Ge1 Se3 Na3 -136.67(9) 2 . . . ?
Se1 Ge1 Se3 Sb2 -75.28(9) 1_556 . . 7_556 ?
Se2 Ge1 Se3 Sb2 159.14(6) . . . 7_556 ?
Ge1 Ge1 Se3 Sb2 42.52(10) 2 . . 7_556 ?
Se1 Ge1 Se3 Na2 -75.28(9) 1_556 . . 7_556 ?
Se2 Ge1 Se3 Na2 159.14(6) . . . 7_556 ?
Ge1 Ge1 Se3 Na2 42.52(10) 2 . . 7_556 ?
Se1 Ge1 Se3 Na2 15.72(10) 1_556 . . . ?
Se2 Ge1 Se3 Na2 -109.86(10) . . . . ?
Ge1 Ge1 Se3 Na2 133.51(8) 2 . . . ?
Se1 Ge1 Se3 Na4 -162.43(12) 1_556 . . . ?
Se2 Ge1 Se3 Na4 71.98(15) . . . . ?
Ge1 Ge1 Se3 Na4 -44.64(14) 2 . . . ?
Se1 Ge1 Se3 Na4 51.5(4) 1_556 . . 7 ?
Se2 Ge1 Se3 Na4 -74.1(4) . . . 7 ?
Ge1 Ge1 Se3 Na4 169.3(4) 2 . . 7 ?
Ge1 Se2 Na1 Se2 -79.78(10) . . . 6_556 ?
Na3 Se2 Na1 Se2 96.6(8) . . . 6_556 ?
Na5 Se2 Na1 Se2 2.71(11) . . . 6_556 ?
Sb1 Se2 Na1 Se2 178.09(15) 5 . . 6_556 ?
Na1 Se2 Na1 Se2 178.09(15) 5 . . 6_556 ?
Na5 Se2 Na1 Se2 85.50(9) 5_656 . . 6_556 ?
Ge1 Se2 Na1 Se2 102.13(11) . . . 5 ?
Na3 Se2 Na1 Se2 -81.5(8) . . . 5 ?
Na5 Se2 Na1 Se2 -175.38(17) . . . 5 ?
Sb1 Se2 Na1 Se2 0.0 5 . . 5 ?
Na1 Se2 Na1 Se2 0.0 5 . . 5 ?
Na5 Se2 Na1 Se2 -92.59(10) 5_656 . . 5 ?
Ge1 Se2 Na1 Se2 15.60(4) . . . 2 ?
Na3 Se2 Na1 Se2 -168.0(8) . . . 2 ?
Na5 Se2 Na1 Se2 98.09(13) . . . 2 ?
Sb1 Se2 Na1 Se2 -86.53(9) 5 . . 2 ?
Na1 Se2 Na1 Se2 -86.53(9) 5 . . 2 ?
Na5 Se2 Na1 Se2 -179.12(4) 5_656 . . 2 ?
Ge1 Se2 Na1 Se1 -19.8(16) . . . 5 ?
Na3 Se2 Na1 Se1 156.5(14) . . . 5 ?
Na5 Se2 Na1 Se1 62.7(16) . . . 5 ?
Sb1 Se2 Na1 Se1 -122.0(17) 5 . . 5 ?
Na1 Se2 Na1 Se1 -122.0(17) 5 . . 5 ?
Na5 Se2 Na1 Se1 145.4(16) 5_656 . . 5 ?
Ge1 Se2 Na1 Se1 -166.58(5) . . . 6_556 ?
Na3 Se2 Na1 Se1 9.8(8) . . . 6_556 ?
Na5 Se2 Na1 Se1 -84.09(13) . . . 6_556 ?
Sb1 Se2 Na1 Se1 91.29(9) 5 . . 6_556 ?
Na1 Se2 Na1 Se1 91.29(9) 5 . . 6_556 ?
Na5 Se2 Na1 Se1 -1.30(3) 5_656 . . 6_556 ?
Ge1 Se2 Na1 Na4 -164.40(4) . . . 5 ?
Na3 Se2 Na1 Na4 12.0(8) . . . 5 ?
Na5 Se2 Na1 Na4 -81.91(13) . . . 5 ?
Sb1 Se2 Na1 Na4 93.47(9) 5 . . 5 ?
Na1 Se2 Na1 Na4 93.47(9) 5 . . 5 ?
Na5 Se2 Na1 Na4 0.88(4) 5_656 . . 5 ?
Ge1 Se2 Na1 Na1 -32.03(10) . . . 5_556 ?
Na3 Se2 Na1 Na1 144.3(7) . . . 5_556 ?
Na5 Se2 Na1 Na1 50.46(13) . . . 5_556 ?
Sb1 Se2 Na1 Na1 -134.16(17) 5 . . 5_556 ?
Na1 Se2 Na1 Na1 -134.16(17) 5 . . 5_556 ?
Na5 Se2 Na1 Na1 133.25(9) 5_656 . . 5_556 ?
Ge1 Se2 Na1 Na1 102.13(11) . . . 5 ?
Na3 Se2 Na1 Na1 -81.5(8) . . . 5 ?
Na5 Se2 Na1 Na1 -175.38(17) . . . 5 ?
Sb1 Se2 Na1 Na1 0.0 5 . . 5 ?
Na5 Se2 Na1 Na1 -92.59(10) 5_656 . . 5 ?
Ge1 Se3 Na3 Se3 -165.23(6) . . . 2_655 ?
Sb2 Se3 Na3 Se3 101(13) 7_556 . . 2_655 ?
Na2 Se3 Na3 Se3 101(13) 7_556 . . 2_655 ?
Na2 Se3 Na3 Se3 -81.84(8) . . . 2_655 ?
Na4 Se3 Na3 Se3 95.73(16) . . . 2_655 ?
Na4 Se3 Na3 Se3 0.0 7 . . 2_655 ?
Ge1 Se3 Na3 Se2 14.74(5) . . . . ?
Sb2 Se3 Na3 Se2 -79(13) 7_556 . . . ?
Na2 Se3 Na3 Se2 -79(13) 7_556 . . . ?
Na2 Se3 Na3 Se2 98.13(8) . . . . ?
Na4 Se3 Na3 Se2 -84.30(16) . . . . ?
Na4 Se3 Na3 Se2 179.96(3) 7 . . . ?
Ge1 Se3 Na3 Se2 -166.5(12) . . . 2_655 ?
Sb2 Se3 Na3 Se2 100(13) 7_556 . . 2_655 ?
Na2 Se3 Na3 Se2 100(13) 7_556 . . 2_655 ?
Na2 Se3 Na3 Se2 -83.2(12) . . . 2_655 ?
Na4 Se3 Na3 Se2 94.4(12) . . . 2_655 ?
Na4 Se3 Na3 Se2 -1.3(12) 7 . . 2_655 ?
Ge1 Se3 Na3 Se1 -78.76(16) . . . 2_655 ?
Sb2 Se3 Na3 Se1 -173(100) 7_556 . . 2_655 ?
Na2 Se3 Na3 Se1 -173(100) 7_556 . . 2_655 ?
Na2 Se3 Na3 Se1 4.63(17) . . . 2_655 ?
Na4 Se3 Na3 Se1 -177.80(18) . . . 2_655 ?
Na4 Se3 Na3 Se1 86.47(16) 7 . . 2_655 ?
Ge1 Se3 Na3 Se1 102.80(16) . . . . ?
Sb2 Se3 Na3 Se1 9(13) 7_556 . . . ?
Na2 Se3 Na3 Se1 9(13) 7_556 . . . ?
Na2 Se3 Na3 Se1 -173.81(14) . . . . ?
Na4 Se3 Na3 Se1 3.8(2) . . . . ?
Na4 Se3 Na3 Se1 -91.98(15) 7 . . . ?
Ge1 Se3 Na3 Ge1 -179.62(9) . . . 2_655 ?
Sb2 Se3 Na3 Ge1 86(13) 7_556 . . 2_655 ?
Na2 Se3 Na3 Ge1 86(13) 7_556 . . 2_655 ?
Na2 Se3 Na3 Ge1 -96.23(12) . . . 2_655 ?
Na4 Se3 Na3 Ge1 81.3(2) . . . 2_655 ?
Na4 Se3 Na3 Ge1 -14.39(10) 7 . . 2_655 ?
Ge1 Se3 Na3 Na5 14.77(6) . . . 5_656 ?
Sb2 Se3 Na3 Na5 -79(13) 7_556 . . 5_656 ?
Na2 Se3 Na3 Na5 -79(13) 7_556 . . 5_656 ?
Na2 Se3 Na3 Na5 98.16(8) . . . 5_656 ?
Na4 Se3 Na3 Na5 -84.27(16) . . . 5_656 ?
Na4 Se3 Na3 Na5 180.0 7 . . 5_656 ?
Ge1 Se3 Na3 Na5 99.2(3) . . . 1_554 ?
Sb2 Se3 Na3 Na5 5(13) 7_556 . . 1_554 ?
Na2 Se3 Na3 Na5 5(13) 7_556 . . 1_554 ?
Na2 Se3 Na3 Na5 -177.4(3) . . . 1_554 ?
Na4 Se3 Na3 Na5 0.2(4) . . . 1_554 ?
Na4 Se3 Na3 Na5 -95.5(3) 7 . . 1_554 ?
Ge1 Se3 Na3 Na2 149.47(9) . . . 1_554 ?
Sb2 Se3 Na3 Na2 56(13) 7_556 . . 1_554 ?
Na2 Se3 Na3 Na2 56(13) 7_556 . . 1_554 ?
Na2 Se3 Na3 Na2 -127.14(13) . . . 1_554 ?
Na4 Se3 Na3 Na2 50.43(19) . . . 1_554 ?
Na4 Se3 Na3 Na2 -45.31(8) 7 . . 1_554 ?
Ge1 Se2 Na3 Se3 -13.5(12) . . . 2_655 ?
Na5 Se2 Na3 Se3 -95.7(12) . . . 2_655 ?
Sb1 Se2 Na3 Se3 89.0(12) 5 . . 2_655 ?
Na1 Se2 Na3 Se3 89.0(12) 5 . . 2_655 ?
Na1 Se2 Na3 Se3 170.1(9) . . . 2_655 ?
Na5 Se2 Na3 Se3 -178.7(12) 5_656 . . 2_655 ?
Ge1 Se2 Na3 Se3 -14.81(5) . . . . ?
Na5 Se2 Na3 Se3 -97.05(13) . . . . ?
Sb1 Se2 Na3 Se3 87.66(10) 5 . . . ?
Na1 Se2 Na3 Se3 87.66(10) 5 . . . ?
Na1 Se2 Na3 Se3 168.8(8) . . . . ?
Na5 Se2 Na3 Se3 179.96(3) 5_656 . . . ?
Ge1 Se2 Na3 Se2 165.23(6) . . . 2_655 ?
Na5 Se2 Na3 Se2 82.99(13) . . . 2_655 ?
Sb1 Se2 Na3 Se2 -92.30(10) 5 . . 2_655 ?
Na1 Se2 Na3 Se2 -92.30(10) 5 . . 2_655 ?
Na1 Se2 Na3 Se2 -11.2(7) . . . 2_655 ?
Na5 Se2 Na3 Se2 0.0 5_656 . . 2_655 ?
Ge1 Se2 Na3 Se1 77.07(17) . . . 2_655 ?
Na5 Se2 Na3 Se1 -5.2(2) . . . 2_655 ?
Sb1 Se2 Na3 Se1 179.54(15) 5 . . 2_655 ?
Na1 Se2 Na3 Se1 179.54(15) 5 . . 2_655 ?
Na1 Se2 Na3 Se1 -99.3(7) . . . 2_655 ?
Na5 Se2 Na3 Se1 -88.16(17) 5_656 . . 2_655 ?
Ge1 Se2 Na3 Se1 -101.34(16) . . . . ?
Na5 Se2 Na3 Se1 176.42(17) . . . . ?
Sb1 Se2 Na3 Se1 1.13(19) 5 . . . ?
Na1 Se2 Na3 Se1 1.13(19) 5 . . . ?
Na1 Se2 Na3 Se1 82.3(8) . . . . ?
Na5 Se2 Na3 Se1 93.43(15) 5_656 . . . ?
Ge1 Se2 Na3 Ge1 -179.59(10) . . . 2_655 ?
Na5 Se2 Na3 Ge1 98.17(17) . . . 2_655 ?
Sb1 Se2 Na3 Ge1 -77.12(16) 5 . . 2_655 ?
Na1 Se2 Na3 Ge1 -77.12(16) 5 . . 2_655 ?
Na1 Se2 Na3 Ge1 4.0(8) . . . 2_655 ?
Na5 Se2 Na3 Ge1 15.18(11) 5_656 . . 2_655 ?
Ge1 Se2 Na3 Na5 165.23(6) . . . 5_656 ?
Na5 Se2 Na3 Na5 82.99(13) . . . 5_656 ?
Sb1 Se2 Na3 Na5 -92.30(10) 5 . . 5_656 ?
Na1 Se2 Na3 Na5 -92.30(10) 5 . . 5_656 ?
Na1 Se2 Na3 Na5 -11.2(7) . . . 5_656 ?
Ge1 Se2 Na3 Na5 -148.09(11) . . . 1_554 ?
Na5 Se2 Na3 Na5 129.7(2) . . . 1_554 ?
Sb1 Se2 Na3 Na5 -45.62(14) 5 . . 1_554 ?
Na1 Se2 Na3 Na5 -45.62(14) 5 . . 1_554 ?
Na1 Se2 Na3 Na5 35.5(8) . . . 1_554 ?
Na5 Se2 Na3 Na5 46.68(11) 5_656 . . 1_554 ?
Ge1 Se2 Na3 Na2 -95.1(3) . . . 1_554 ?
Na5 Se2 Na3 Na2 -177.3(3) . . . 1_554 ?
Sb1 Se2 Na3 Na2 7.4(3) 5 . . 1_554 ?
Na1 Se2 Na3 Na2 7.4(3) 5 . . 1_554 ?
Na1 Se2 Na3 Na2 88.5(10) . . . 1_554 ?
Na5 Se2 Na3 Na2 99.7(3) 5_656 . . 1_554 ?
Ge1 Se1 Na3 Se3 45.7(9) 1_554 . . 2_655 ?
Na4 Se1 Na3 Se3 -101.0(3) . . . 2_655 ?
Na5 Se1 Na3 Se3 86.4(2) 1_554 . . 2_655 ?
Sb2 Se1 Na3 Se3 -4.57(17) 1_554 . . 2_655 ?
Na2 Se1 Na3 Se3 -4.57(17) 1_554 . . 2_655 ?
Na1 Se1 Na3 Se3 -179.49(18) 5 . . 2_655 ?
Ge1 Se1 Na3 Se3 142.8(6) 1_554 . . . ?
Na4 Se1 Na3 Se3 -3.9(3) . . . . ?
Na5 Se1 Na3 Se3 -176.4(2) 1_554 . . . ?
Sb2 Se1 Na3 Se3 92.58(19) 1_554 . . . ?
Na2 Se1 Na3 Se3 92.58(19) 1_554 . . . ?
Na1 Se1 Na3 Se3 -82.3(2) 5 . . . ?
Ge1 Se1 Na3 Se2 -136.0(6) 1_554 . . . ?
Na4 Se1 Na3 Se2 77.4(3) . . . . ?
Na5 Se1 Na3 Se2 -95.2(2) 1_554 . . . ?
Sb2 Se1 Na3 Se2 173.82(18) 1_554 . . . ?
Na2 Se1 Na3 Se2 173.82(18) 1_554 . . . ?
Na1 Se1 Na3 Se2 -1.10(19) 5 . . . ?
Ge1 Se1 Na3 Se2 -35.6(9) 1_554 . . 2_655 ?
Na4 Se1 Na3 Se2 177.8(2) . . . 2_655 ?
Na5 Se1 Na3 Se2 5.2(2) 1_554 . . 2_655 ?
Sb2 Se1 Na3 Se2 -85.8(2) 1_554 . . 2_655 ?
Na2 Se1 Na3 Se2 -85.8(2) 1_554 . . 2_655 ?
Na1 Se1 Na3 Se2 99.3(2) 5 . . 2_655 ?
Ge1 Se1 Na3 Se1 94.2(7) 1_554 . . 2_655 ?
Na4 Se1 Na3 Se1 -52.5(2) . . . 2_655 ?
Na5 Se1 Na3 Se1 134.95(14) 1_554 . . 2_655 ?
Sb2 Se1 Na3 Se1 43.97(9) 1_554 . . 2_655 ?
Na2 Se1 Na3 Se1 43.97(9) 1_554 . . 2_655 ?
Na1 Se1 Na3 Se1 -130.96(11) 5 . . 2_655 ?
Ge1 Se1 Na3 Ge1 4.8(8) 1_554 . . 2_655 ?
Na4 Se1 Na3 Ge1 -141.9(2) . . . 2_655 ?
Na5 Se1 Na3 Ge1 45.5(2) 1_554 . . 2_655 ?
Sb2 Se1 Na3 Ge1 -45.45(16) 1_554 . . 2_655 ?
Na2 Se1 Na3 Ge1 -45.45(16) 1_554 . . 2_655 ?
Na1 Se1 Na3 Ge1 139.62(18) 5 . . 2_655 ?
Ge1 Se1 Na3 Na5 -85.8(7) 1_554 . . 5_656 ?
Na4 Se1 Na3 Na5 127.5(2) . . . 5_656 ?
Na5 Se1 Na3 Na5 -45.05(14) 1_554 . . 5_656 ?
Sb2 Se1 Na3 Na5 -136.04(9) 1_554 . . 5_656 ?
Na2 Se1 Na3 Na5 -136.04(9) 1_554 . . 5_656 ?
Na1 Se1 Na3 Na5 49.04(11) 5 . . 5_656 ?
Ge1 Se1 Na3 Na5 -40.8(7) 1_554 . . 1_554 ?
Na4 Se1 Na3 Na5 172.6(3) . . . 1_554 ?
Sb2 Se1 Na3 Na5 -90.99(14) 1_554 . . 1_554 ?
Na2 Se1 Na3 Na5 -90.99(14) 1_554 . . 1_554 ?
Na1 Se1 Na3 Na5 94.1(2) 5 . . 1_554 ?
Ge1 Se1 Na3 Na2 50.2(7) 1_554 . . 1_554 ?
Na4 Se1 Na3 Na2 -96.4(2) . . . 1_554 ?
Na5 Se1 Na3 Na2 90.99(14) 1_554 . . 1_554 ?
Sb2 Se1 Na3 Na2 0.0 1_554 . . 1_554 ?
Na1 Se1 Na3 Na2 -174.92(16) 5 . . 1_554 ?
Ge1 Se1 Na4 Se1 99.71(12) 1_554 . . 2_554 ?
Na5 Se1 Na4 Se1 -24.8(9) 1_554 . . 2_554 ?
Sb2 Se1 Na4 Se1 -176.64(4) 1_554 . . 2_554 ?
Na2 Se1 Na4 Se1 -176.64(4) 1_554 . . 2_554 ?
Na3 Se1 Na4 Se1 -90.65(16) . . . 2_554 ?
Na1 Se1 Na4 Se1 0.0 5 . . 2_554 ?
Ge1 Se1 Na4 Se3 -165.87(13) 1_554 . . . ?
Na5 Se1 Na4 Se3 69.6(10) 1_554 . . . ?
Sb2 Se1 Na4 Se3 -82.22(16) 1_554 . . . ?
Na2 Se1 Na4 Se3 -82.22(16) 1_554 . . . ?
Na3 Se1 Na4 Se3 3.8(3) . . . . ?
Na1 Se1 Na4 Se3 94.42(16) 5 . . . ?
Ge1 Se1 Na4 Se3 10.9(3) 1_554 . . 2_554 ?
Na5 Se1 Na4 Se3 -113.6(8) 1_554 . . 2_554 ?
Sb2 Se1 Na4 Se3 94.54(18) 1_554 . . 2_554 ?
Na2 Se1 Na4 Se3 94.54(18) 1_554 . . 2_554 ?
Na3 Se1 Na4 Se3 -179.5(2) . . . 2_554 ?
Na1 Se1 Na4 Se3 -88.81(18) 5 . . 2_554 ?
Ge1 Se1 Na4 Se3 -81.51(12) 1_554 . . 7 ?
Na5 Se1 Na4 Se3 154.0(9) 1_554 . . 7 ?
Sb2 Se1 Na4 Se3 2.14(3) 1_554 . . 7 ?
Na2 Se1 Na4 Se3 2.14(3) 1_554 . . 7 ?
Na3 Se1 Na4 Se3 88.14(16) . . . 7 ?
Na1 Se1 Na4 Se3 178.78(3) 5 . . 7 ?
Ge1 Se1 Na4 Se3 -72.5(4) 1_554 . . 8_455 ?
Na5 Se1 Na4 Se3 163.0(7) 1_554 . . 8_455 ?
Sb2 Se1 Na4 Se3 11.1(4) 1_554 . . 8_455 ?
Na2 Se1 Na4 Se3 11.1(4) 1_554 . . 8_455 ?
Na3 Se1 Na4 Se3 97.1(3) . . . 8_455 ?
Na1 Se1 Na4 Se3 -172.2(3) 5 . . 8_455 ?
Ge1 Se1 Na4 Na1 99.71(12) 1_554 . . 5 ?
Na5 Se1 Na4 Na1 -24.8(9) 1_554 . . 5 ?
Sb2 Se1 Na4 Na1 -176.64(4) 1_554 . . 5 ?
Na2 Se1 Na4 Na1 -176.64(4) 1_554 . . 5 ?
Na3 Se1 Na4 Na1 -90.65(16) . . . 5 ?
Ge1 Se1 Na4 Na2 -162.0(3) 1_554 . . 7_556 ?
Na5 Se1 Na4 Na2 73.5(12) 1_554 . . 7_556 ?
Sb2 Se1 Na4 Na2 -78.3(4) 1_554 . . 7_556 ?
Na2 Se1 Na4 Na2 -78.3(4) 1_554 . . 7_556 ?
Na3 Se1 Na4 Na2 7.7(4) . . . 7_556 ?
Na1 Se1 Na4 Na2 98.3(4) 5 . . 7_556 ?
Ge1 Se1 Na4 Na2 -34.70(17) 1_554 . . 7 ?
Na5 Se1 Na4 Na2 -159.2(9) 1_554 . . 7 ?
Sb2 Se1 Na4 Na2 48.95(9) 1_554 . . 7 ?
Na2 Se1 Na4 Na2 48.95(9) 1_554 . . 7 ?
Na3 Se1 Na4 Na2 134.94(17) . . . 7 ?
Na1 Se1 Na4 Na2 -134.41(9) 5 . . 7 ?
Ge1 Se3 Na4 Se1 -85.65(19) . . . . ?
Na3 Se3 Na4 Se1 -3.9(3) . . . . ?
Sb2 Se3 Na4 Se1 176.1(2) 7_556 . . . ?
Na2 Se3 Na4 Se1 176.1(2) 7_556 . . . ?
Na2 Se3 Na4 Se1 128.3(8) . . . . ?
Na4 Se3 Na4 Se1 84.19(13) 7 . . . ?
Ge1 Se3 Na4 Se1 19.1(2) . . . 2_554 ?
Na3 Se3 Na4 Se1 100.9(3) . . . 2_554 ?
Sb2 Se3 Na4 Se1 -79.1(2) 7_556 . . 2_554 ?
Na2 Se3 Na4 Se1 -79.1(2) 7_556 . . 2_554 ?
Na2 Se3 Na4 Se1 -126.9(9) . . . 2_554 ?
Na4 Se3 Na4 Se1 -171.0(3) 7 . . 2_554 ?
Ge1 Se3 Na4 Se3 146.64(7) . . . 2_554 ?
Na3 Se3 Na4 Se3 -131.64(16) . . . 2_554 ?
Sb2 Se3 Na4 Se3 48.44(9) 7_556 . . 2_554 ?
Na2 Se3 Na4 Se3 48.44(9) 7_556 . . 2_554 ?
Na2 Se3 Na4 Se3 0.6(8) . . . 2_554 ?
Na4 Se3 Na4 Se3 -43.52(13) 7 . . 2_554 ?
Ge1 Se3 Na4 Se3 -169.83(14) . . . 7 ?
Na3 Se3 Na4 Se3 -88.1(2) . . . 7 ?
Sb2 Se3 Na4 Se3 91.96(19) 7_556 . . 7 ?
Na2 Se3 Na4 Se3 91.96(19) 7_556 . . 7 ?
Na2 Se3 Na4 Se3 44.2(8) . . . 7 ?
Na4 Se3 Na4 Se3 0.0 7 . . 7 ?
Ge1 Se3 Na4 Se3 103.34(18) . . . 8_455 ?
Na3 Se3 Na4 Se3 -174.9(2) . . . 8_455 ?
Sb2 Se3 Na4 Se3 5.13(14) 7_556 . . 8_455 ?
Na2 Se3 Na4 Se3 5.13(14) 7_556 . . 8_455 ?
Na2 Se3 Na4 Se3 -42.7(9) . . . 8_455 ?
Na4 Se3 Na4 Se3 -86.8(3) 7 . . 8_455 ?
Ge1 Se3 Na4 Na1 -33.36(7) . . . 5 ?
Na3 Se3 Na4 Na1 48.36(16) . . . 5 ?
Sb2 Se3 Na4 Na1 -131.56(9) 7_556 . . 5 ?
Na2 Se3 Na4 Na1 -131.56(9) 7_556 . . 5 ?
Na2 Se3 Na4 Na1 -179(100) . . . 5 ?
Na4 Se3 Na4 Na1 136.48(13) 7 . . 5 ?
Ge1 Se3 Na4 Na2 98.21(12) . . . 7_556 ?
Na3 Se3 Na4 Na2 179.93(18) . . . 7_556 ?
Sb2 Se3 Na4 Na2 0.0 7_556 . . 7_556 ?
Na2 Se3 Na4 Na2 -47.8(8) . . . 7_556 ?
Na4 Se3 Na4 Na2 -91.96(19) 7 . . 7_556 ?
Ge1 Se3 Na4 Na2 -167.6(3) . . . 7 ?
Na3 Se3 Na4 Na2 -85.9(3) . . . 7 ?
Sb2 Se3 Na4 Na2 94.2(3) 7_556 . . 7 ?
Na2 Se3 Na4 Na2 94.2(3) 7_556 . . 7 ?
Na2 Se3 Na4 Na2 46.4(9) . . . 7 ?
Na4 Se3 Na4 Na2 2.22(17) 7 . . 7 ?
Ge1 Se2 Na5 Se2 -31.92(7) . . . 2_656 ?
Na3 Se2 Na5 Se2 49.83(16) . . . 2_656 ?
Sb1 Se2 Na5 Se2 152.7(13) 5 . . 2_656 ?
Na1 Se2 Na5 Se2 152.7(13) 5 . . 2_656 ?
Na1 Se2 Na5 Se2 -134.52(10) . . . 2_656 ?
Na5 Se2 Na5 Se2 131.40(16) 5_656 . . 2_656 ?
Ge1 Se2 Na5 Se1 -76.41(19) . . . 2_655 ?
Na3 Se2 Na5 Se1 5.3(2) . . . 2_655 ?
Sb1 Se2 Na5 Se1 108.2(15) 5 . . 2_655 ?
Na1 Se2 Na5 Se1 108.2(15) 5 . . 2_655 ?
Na1 Se2 Na5 Se1 -179.0(2) . . . 2_655 ?
Na5 Se2 Na5 Se1 86.91(12) 5_656 . . 2_655 ?
Ge1 Se2 Na5 Se1 13.11(12) . . . 1_556 ?
Na3 Se2 Na5 Se1 94.9(2) . . . 1_556 ?
Sb1 Se2 Na5 Se1 -162.3(13) 5 . . 1_556 ?
Na1 Se2 Na5 Se1 -162.3(13) 5 . . 1_556 ?
Na1 Se2 Na5 Se1 -89.49(15) . . . 1_556 ?
Na5 Se2 Na5 Se1 176.4(3) 5_656 . . 1_556 ?
Ge1 Se2 Na5 Se2 99.91(14) . . . 6_556 ?
Na3 Se2 Na5 Se2 -178.3(2) . . . 6_556 ?
Sb1 Se2 Na5 Se2 -75.5(13) 5 . . 6_556 ?
Na1 Se2 Na5 Se2 -75.5(13) 5 . . 6_556 ?
Na1 Se2 Na5 Se2 -2.69(11) . . . 6_556 ?
Na5 Se2 Na5 Se2 -96.8(3) 5_656 . . 6_556 ?
Ge1 Se2 Na5 Se2 -163.32(19) . . . 5_656 ?
Na3 Se2 Na5 Se2 -81.6(2) . . . 5_656 ?
Sb1 Se2 Na5 Se2 21.3(14) 5 . . 5_656 ?
Na1 Se2 Na5 Se2 21.3(14) 5 . . 5_656 ?
Na1 Se2 Na5 Se2 94.1(2) . . . 5_656 ?
Na5 Se2 Na5 Se2 0.0 5_656 . . 5_656 ?
Ge1 Se2 Na5 Ge1 -60.7(2) . . . 2_656 ?
Na3 Se2 Na5 Ge1 21.0(2) . . . 2_656 ?
Sb1 Se2 Na5 Ge1 123.9(15) 5 . . 2_656 ?
Na1 Se2 Na5 Ge1 123.9(15) 5 . . 2_656 ?
Na1 Se2 Na5 Ge1 -163.3(2) . . . 2_656 ?
Na5 Se2 Na5 Ge1 102.62(10) 5_656 . . 2_656 ?
Ge1 Se2 Na5 Na3 148.08(7) . . . 5_656 ?
Na3 Se2 Na5 Na3 -130.17(16) . . . 5_656 ?
Sb1 Se2 Na5 Na3 -27.3(13) 5 . . 5_656 ?
Na1 Se2 Na5 Na3 -27.3(13) 5 . . 5_656 ?
Na1 Se2 Na5 Na3 45.48(10) . . . 5_656 ?
Na5 Se2 Na5 Na3 -48.60(16) 5_656 . . 5_656 ?
Ge1 Se2 Na5 Na5 -163.32(19) . . . 5_656 ?
Na3 Se2 Na5 Na5 -81.6(2) . . . 5_656 ?
Sb1 Se2 Na5 Na5 21.3(15) 5 . . 5_656 ?
Na1 Se2 Na5 Na5 21.3(15) 5 . . 5_656 ?
Na1 Se2 Na5 Na5 94.1(2) . . . 5_656 ?
Ge1 Se2 Na5 Na5 95.3(4) . . . 5_657 ?
Na3 Se2 Na5 Na5 177.0(4) . . . 5_657 ?
Sb1 Se2 Na5 Na5 -80.1(11) 5 . . 5_657 ?
Na1 Se2 Na5 Na5 -80.1(11) 5 . . 5_657 ?
Na1 Se2 Na5 Na5 -7.3(4) . . . 5_657 ?
Na5 Se2 Na5 Na5 -101.4(6) 5_656 . . 5_657 ?
Ge1 Se2 Na5 Na3 14.1(2) . . . 1_556 ?
Na3 Se2 Na5 Na3 95.8(4) . . . 1_556 ?
Sb1 Se2 Na5 Na3 -161.3(12) 5 . . 1_556 ?
Na1 Se2 Na5 Na3 -161.3(12) 5 . . 1_556 ?
Na1 Se2 Na5 Na3 -88.5(2) . . . 1_556 ?
Na5 Se2 Na5 Na3 177.4(4) 5_656 . . 1_556 ?
Ge1 Se3 Na2 Se3 164.01(11) . . . 8_556 ?
Na3 Se3 Na2 Se3 82.65(19) . . . 8_556 ?
Sb2 Se3 Na2 Se3 -97.39(19) 7_556 . . 8_556 ?
Na2 Se3 Na2 Se3 -97.39(19) 7_556 . . 8_556 ?
Na4 Se3 Na2 Se3 -49.7(8) . . . 8_556 ?
Na4 Se3 Na2 Se3 -5.28(14) 7 . . 8_556 ?
Ge1 Se3 Na2 Se3 -98.60(11) . . . 7_556 ?
Na3 Se3 Na2 Se3 -179.96(18) . . . 7_556 ?
Sb2 Se3 Na2 Se3 0.0 7_556 . . 7_556 ?
Na2 Se3 Na2 Se3 0.0 7_556 . . 7_556 ?
Na4 Se3 Na2 Se3 47.7(8) . . . 7_556 ?
Na4 Se3 Na2 Se3 92.11(19) 7 . . 7_556 ?
Ge1 Se3 Na2 Se3 33.09(7) . . . 2_656 ?
Na3 Se3 Na2 Se3 -48.27(16) . . . 2_656 ?
Sb2 Se3 Na2 Se3 131.69(9) 7_556 . . 2_656 ?
Na2 Se3 Na2 Se3 131.69(9) 7_556 . . 2_656 ?
Na4 Se3 Na2 Se3 179(100) . . . 2_656 ?
Na4 Se3 Na2 Se3 -136.20(14) 7 . . 2_656 ?
Ge1 Se3 Na2 Se1 -11.32(8) . . . 1_556 ?
Na3 Se3 Na2 Se1 -92.68(19) . . . 1_556 ?
Sb2 Se3 Na2 Se1 87.28(12) 7_556 . . 1_556 ?
Na2 Se3 Na2 Se1 87.28(12) 7_556 . . 1_556 ?
Na4 Se3 Na2 Se1 134.9(8) . . . 1_556 ?
Na4 Se3 Na2 Se1 179.39(17) 7 . . 1_556 ?
Ge1 Se3 Na2 Se1 76.66(13) . . . 2_655 ?
Na3 Se3 Na2 Se1 -4.70(17) . . . 2_655 ?
Sb2 Se3 Na2 Se1 175.27(14) 7_556 . . 2_655 ?
Na2 Se3 Na2 Se1 175.27(14) 7_556 . . 2_655 ?
Na4 Se3 Na2 Se1 -137.1(8) . . . 2_655 ?
Na4 Se3 Na2 Se1 -92.63(17) 7 . . 2_655 ?
Ge1 Se3 Na2 Na4 -96.0(2) . . . 7_556 ?
Na3 Se3 Na2 Na4 -177.4(2) . . . 7_556 ?
Sb2 Se3 Na2 Na4 2.58(19) 7_556 . . 7_556 ?
Na2 Se3 Na2 Na4 2.58(19) 7_556 . . 7_556 ?
Na4 Se3 Na2 Na4 50.2(9) . . . 7_556 ?
Na4 Se3 Na2 Na4 94.7(3) 7 . . 7_556 ?
Ge1 Se3 Na2 Na4 169.29(16) . . . 7 ?
Na3 Se3 Na2 Na4 87.9(2) . . . 7 ?
Sb2 Se3 Na2 Na4 -92.11(19) 7_556 . . 7 ?
Na2 Se3 Na2 Na4 -92.11(19) 7_556 . . 7 ?
Na4 Se3 Na2 Na4 -44.4(8) . . . 7 ?
Ge1 Se3 Na2 Na3 -8.63(14) . . . 1_556 ?
Na3 Se3 Na2 Na3 -90.0(3) . . . 1_556 ?
Sb2 Se3 Na2 Na3 89.97(15) 7_556 . . 1_556 ?
Na2 Se3 Na2 Na3 89.97(15) 7_556 . . 1_556 ?
Na4 Se3 Na2 Na3 137.6(8) . . . 1_556 ?
Na4 Se3 Na2 Na3 -177.92(19) 7 . . 1_556 ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        27.63
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         1.168
_refine_diff_density_min         -1.658
_refine_diff_density_rms         0.302
