# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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# 
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk
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#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
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data_81

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Ba4 Cl Ge3 Na S10'
_chemical_formula_weight         1146.17

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'
Cl Cl 0.1484 0.1585 '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'
Ba Ba -0.3244 2.2819 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   P63

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

_cell_length_a                   9.7653(2)
_cell_length_b                   9.7653(2)
_cell_length_c                   12.0581(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     995.82(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    1597
_cell_measurement_theta_min      4.1420
_cell_measurement_theta_max      26.7060

_exptl_crystal_description       chip
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.105
_exptl_crystal_size_min          0.085
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    3.823
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1016
_exptl_absorpt_coefficient_mu    13.427
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.03
_exptl_absorpt_correction_T_max  0.12
_exptl_absorpt_process_details   'face indexed'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_measurement_device_type  'Rigaku AFC10 diffractometer'
_diffrn_measurement_method       dtprofit.ref
_diffrn_detector_area_resol_mean 28.5714
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            2775
_diffrn_reflns_av_R_equivalents  0.0319
_diffrn_reflns_av_sigmaI/netI    0.0443
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.94
_diffrn_reflns_theta_max         25.09
_reflns_number_total             1048
_reflns_number_gt                978
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  Diamond

_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)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   none
_refine_ls_hydrogen_treatment    none
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.06(4)
_refine_ls_number_reflns         1048
_refine_ls_number_parameters     58
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0456
_refine_ls_R_factor_gt           0.0424
_refine_ls_wR_factor_ref         0.1245
_refine_ls_wR_factor_gt          0.1189
_refine_ls_goodness_of_fit_ref   0.948
_refine_ls_restrained_S_all      0.948
_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
Ba1 Ba 0.33938(11) 0.08300(11) 0.00631(10) 0.0357(4) Uani 1 1 d . . .
Ba2 Ba 0.3333 0.6667 0.18794(12) 0.0220(4) Uani 1 3 d S . .
Na Na 0.0000 0.0000 0.2505(11) 0.042(3) Uani 1 3 d S . .
Ge Ge 0.44669(13) 0.11848(13) 0.34107(11) 0.0125(3) Uani 1 1 d . . .
S1 S 0.4523(4) 0.3380(4) 0.2756(3) 0.0209(8) Uani 1 1 d . . .
S2 S 0.3350(4) 0.4231(4) 0.0179(3) 0.0240(8) Uani 1 1 d . . .
S3 S 0.0671(4) 0.3164(4) 0.2500(3) 0.0199(8) Uani 1 1 d . . .
S4 S 0.3333 0.6667 0.4437(6) 0.0280(15) Uani 1 3 d S . .
Cl1 Cl 0.0000 0.0000 0.9996(9) 0.0407(19) Uani 1 3 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
Ba1 S4 2.991(2) 4_664 ?
Ba1 Cl1 2.9935(9) 1_554 ?
Ba1 S3 3.204(4) 3 ?
Ba1 S2 3.346(3) . ?
Ba1 S1 3.380(4) 5_554 ?
Ba1 S2 3.474(4) 2_655 ?
Ba1 S3 3.550(4) 5_554 ?
Ba1 S2 3.561(4) 3 ?
Ba1 Na 4.198(10) . ?
Ba1 Na 4.298(10) 4_554 ?
Ba1 Ba2 4.5923(12) 1_545 ?
Ba1 Ba2 4.8078(16) 4_664 ?
Ba2 S4 3.084(7) . ?
Ba2 S2 3.146(3) 3_565 ?
Ba2 S2 3.146(3) 2_665 ?
Ba2 S2 3.146(3) . ?
Ba2 S3 3.182(3) 3_565 ?
Ba2 S3 3.182(3) . ?
Ba2 S3 3.182(3) 2_665 ?
Ba2 Ba1 4.5923(12) 2 ?
Ba2 Ba1 4.5923(12) 1_565 ?
Ba2 Ba1 4.5923(12) 3_665 ?
Ba2 Ba1 4.8078(16) 4_665 ?
Ba2 Ba1 4.8078(16) 5_565 ?
Na S3 2.820(3) 2 ?
Na S3 2.820(3) . ?
Na S3 2.820(3) 3 ?
Na Cl1 3.004(17) 4_554 ?
Na Cl1 3.025(17) 1_554 ?
Na Ba1 4.198(10) 3 ?
Na Ba1 4.198(10) 2 ?
Na Ba1 4.298(10) 6 ?
Na Ba1 4.298(10) 5 ?
Na Ba1 4.298(10) 4 ?
Ge S2 2.149(4) 5 ?
Ge S3 2.171(3) 3 ?
Ge S1 2.259(3) . ?
Ge S1 2.265(3) 2_655 ?
S1 Ge 2.265(3) 3_665 ?
S1 Ba1 3.380(4) 6 ?
S2 Ge 2.149(4) 6_554 ?
S2 Ba1 3.474(4) 3_665 ?
S2 Ba1 3.561(4) 2 ?
S3 Ge 2.171(3) 2 ?
S3 Ba1 3.204(4) 2 ?
S3 Ba1 3.550(4) 6 ?
S4 Ba1 2.991(2) 5_565 ?
S4 Ba1 2.991(2) 4_665 ?
S4 Ba1 2.991(2) 6 ?
Cl1 Ba1 2.9935(10) 3_556 ?
Cl1 Ba1 2.9935(9) 1_556 ?
Cl1 Ba1 2.9935(9) 2_556 ?
Cl1 Na 3.004(17) 4 ?
Cl1 Na 3.025(17) 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
S4 Ba1 Cl1 143.16(10) 4_664 1_554 ?
S4 Ba1 S3 122.82(14) 4_664 3 ?
Cl1 Ba1 S3 83.5(2) 1_554 3 ?
S4 Ba1 S2 74.82(7) 4_664 . ?
Cl1 Ba1 S2 73.01(7) 1_554 . ?
S3 Ba1 S2 106.19(9) 3 . ?
S4 Ba1 S1 87.49(12) 4_664 5_554 ?
Cl1 Ba1 S1 97.77(17) 1_554 5_554 ?
S3 Ba1 S1 124.89(8) 3 5_554 ?
S2 Ba1 S1 127.01(9) . 5_554 ?
S4 Ba1 S2 72.88(6) 4_664 2_655 ?
Cl1 Ba1 S2 141.81(7) 1_554 2_655 ?
S3 Ba1 S2 80.78(9) 3 2_655 ?
S2 Ba1 S2 144.97(10) . 2_655 ?
S1 Ba1 S2 64.67(9) 5_554 2_655 ?
S4 Ba1 S3 72.10(12) 4_664 5_554 ?
Cl1 Ba1 S3 77.62(18) 1_554 5_554 ?
S3 Ba1 S3 160.37(11) 3 5_554 ?
S2 Ba1 S3 63.09(8) . 5_554 ?
S1 Ba1 S3 63.97(8) 5_554 5_554 ?
S2 Ba1 S3 117.72(8) 2_655 5_554 ?
S4 Ba1 S2 142.08(8) 4_664 3 ?
Cl1 Ba1 S2 69.86(6) 1_554 3 ?
S3 Ba1 S2 64.24(9) 3 3 ?
S2 Ba1 S2 142.42(10) . 3 ?
S1 Ba1 S2 64.85(8) 5_554 3 ?
S2 Ba1 S2 71.96(11) 2_655 3 ?
S3 Ba1 S2 113.17(9) 5_554 3 ?
S4 Ba1 Na 138.81(13) 4_664 . ?
Cl1 Ba1 Na 46.1(2) 1_554 . ?
S3 Ba1 Na 42.17(13) 3 . ?
S2 Ba1 Na 76.20(7) . . ?
S1 Ba1 Na 133.59(11) 5_554 . ?
S2 Ba1 Na 122.10(11) 2_655 . ?
S3 Ba1 Na 118.33(13) 5_554 . ?
S2 Ba1 Na 74.11(7) 3 . ?
S4 Ba1 Na 112.41(15) 4_664 4_554 ?
Cl1 Ba1 Na 44.3(2) 1_554 4_554 ?
S3 Ba1 Na 124.22(13) 3 4_554 ?
S2 Ba1 Na 79.97(7) . 4_554 ?
S1 Ba1 Na 61.25(12) 5_554 4_554 ?
S2 Ba1 Na 125.14(11) 2_655 4_554 ?
S3 Ba1 Na 40.73(11) 5_554 4_554 ?
S2 Ba1 Na 77.74(7) 3 4_554 ?
Na Ba1 Na 90.406(19) . 4_554 ?
S4 Ba1 Ba2 112.29(6) 4_664 1_545 ?
Cl1 Ba1 Ba2 104.52(10) 1_554 1_545 ?
S3 Ba1 Ba2 43.83(6) 3 1_545 ?
S2 Ba1 Ba2 149.09(8) . 1_545 ?
S1 Ba1 Ba2 83.87(6) 5_554 1_545 ?
S2 Ba1 Ba2 43.20(6) 2_655 1_545 ?
S3 Ba1 Ba2 147.60(6) 5_554 1_545 ?
S2 Ba1 Ba2 43.13(6) 3 1_545 ?
Na Ba1 Ba2 80.51(7) . 1_545 ?
Na Ba1 Ba2 120.53(3) 4_554 1_545 ?
S4 Ba1 Ba2 38.37(13) 4_664 4_664 ?
Cl1 Ba1 Ba2 118.72(18) 1_554 4_664 ?
S3 Ba1 Ba2 157.75(7) 3 4_664 ?
S2 Ba1 Ba2 82.18(7) . 4_664 ?
S1 Ba1 Ba2 56.28(6) 5_554 4_664 ?
S2 Ba1 Ba2 80.95(6) 2_655 4_664 ?
S3 Ba1 Ba2 41.43(5) 5_554 4_664 ?
S2 Ba1 Ba2 121.07(7) 3 4_664 ?
Na Ba1 Ba2 156.65(8) . 4_664 ?
Na Ba1 Ba2 77.09(12) 4_554 4_664 ?
Ba2 Ba1 Ba2 122.82(2) 1_545 4_664 ?
S4 Ba2 S2 130.66(7) . 3_565 ?
S4 Ba2 S2 130.66(7) . 2_665 ?
S2 Ba2 S2 82.14(10) 3_565 2_665 ?
S4 Ba2 S2 130.66(7) . . ?
S2 Ba2 S2 82.14(10) 3_565 . ?
S2 Ba2 S2 82.14(10) 2_665 . ?
S4 Ba2 S3 76.40(7) . 3_565 ?
S2 Ba2 S3 69.55(9) 3_565 3_565 ?
S2 Ba2 S3 86.39(10) 2_665 3_565 ?
S2 Ba2 S3 150.66(10) . 3_565 ?
S4 Ba2 S3 76.40(7) . . ?
S2 Ba2 S3 86.39(10) 3_565 . ?
S2 Ba2 S3 150.66(10) 2_665 . ?
S2 Ba2 S3 69.55(9) . . ?
S3 Ba2 S3 114.65(5) 3_565 . ?
S4 Ba2 S3 76.40(7) . 2_665 ?
S2 Ba2 S3 150.66(10) 3_565 2_665 ?
S2 Ba2 S3 69.55(9) 2_665 2_665 ?
S2 Ba2 S3 86.39(10) . 2_665 ?
S3 Ba2 S3 114.65(5) 3_565 2_665 ?
S3 Ba2 S3 114.65(5) . 2_665 ?
S4 Ba2 Ba1 118.48(2) . 2 ?
S2 Ba2 Ba1 49.10(6) 3_565 2 ?
S2 Ba2 Ba1 110.85(8) 2_665 2 ?
S2 Ba2 Ba1 50.70(7) . 2 ?
S3 Ba2 Ba1 110.33(6) 3_565 2 ?
S3 Ba2 Ba1 44.21(7) . 2 ?
S3 Ba2 Ba1 134.89(7) 2_665 2 ?
S4 Ba2 Ba1 118.48(2) . 1_565 ?
S2 Ba2 Ba1 50.70(7) 3_565 1_565 ?
S2 Ba2 Ba1 49.10(6) 2_665 1_565 ?
S2 Ba2 Ba1 110.85(8) . 1_565 ?
S3 Ba2 Ba1 44.21(7) 3_565 1_565 ?
S3 Ba2 Ba1 134.89(7) . 1_565 ?
S3 Ba2 Ba1 110.33(6) 2_665 1_565 ?
Ba1 Ba2 Ba1 99.14(3) 2 1_565 ?
S4 Ba2 Ba1 118.48(2) . 3_665 ?
S2 Ba2 Ba1 110.85(8) 3_565 3_665 ?
S2 Ba2 Ba1 50.70(7) 2_665 3_665 ?
S2 Ba2 Ba1 49.10(6) . 3_665 ?
S3 Ba2 Ba1 134.89(7) 3_565 3_665 ?
S3 Ba2 Ba1 110.33(6) . 3_665 ?
S3 Ba2 Ba1 44.21(7) 2_665 3_665 ?
Ba1 Ba2 Ba1 99.14(3) 2 3_665 ?
Ba1 Ba2 Ba1 99.14(3) 1_565 3_665 ?
S4 Ba2 Ba1 37.015(17) . 4_665 ?
S2 Ba2 Ba1 146.47(7) 3_565 4_665 ?
S2 Ba2 Ba1 94.35(7) 2_665 4_665 ?
S2 Ba2 Ba1 130.64(7) . 4_665 ?
S3 Ba2 Ba1 76.96(6) 3_565 4_665 ?
S3 Ba2 Ba1 109.69(8) . 4_665 ?
S3 Ba2 Ba1 47.59(7) 2_665 4_665 ?
Ba1 Ba2 Ba1 153.88(3) 2 4_665 ?
Ba1 Ba2 Ba1 102.687(12) 1_565 4_665 ?
Ba1 Ba2 Ba1 91.427(18) 3_665 4_665 ?
S4 Ba2 Ba1 37.015(17) . 5_565 ?
S2 Ba2 Ba1 94.35(7) 3_565 5_565 ?
S2 Ba2 Ba1 130.64(7) 2_665 5_565 ?
S2 Ba2 Ba1 146.47(7) . 5_565 ?
S3 Ba2 Ba1 47.59(7) 3_565 5_565 ?
S3 Ba2 Ba1 76.96(6) . 5_565 ?
S3 Ba2 Ba1 109.69(8) 2_665 5_565 ?
Ba1 Ba2 Ba1 102.687(12) 2 5_565 ?
Ba1 Ba2 Ba1 91.427(18) 1_565 5_565 ?
Ba1 Ba2 Ba1 153.88(3) 3_665 5_565 ?
Ba1 Ba2 Ba1 62.85(3) 4_665 5_565 ?
S3 Na S3 120.000(3) 2 . ?
S3 Na S3 120.000(3) 2 3 ?
S3 Na S3 120.000(3) . 3 ?
S3 Na Cl1 90.1(3) 2 4_554 ?
S3 Na Cl1 90.1(3) . 4_554 ?
S3 Na Cl1 90.1(3) 3 4_554 ?
S3 Na Cl1 89.9(3) 2 1_554 ?
S3 Na Cl1 89.9(3) . 1_554 ?
S3 Na Cl1 89.9(3) 3 1_554 ?
Cl1 Na Cl1 180.000(1) 4_554 1_554 ?
S3 Na Ba1 49.71(17) 2 3 ?
S3 Na Ba1 125.7(3) . 3 ?
S3 Na Ba1 93.3(2) 3 3 ?
Cl1 Na Ba1 134.53(13) 4_554 3 ?
Cl1 Na Ba1 45.47(13) 1_554 3 ?
S3 Na Ba1 93.3(2) 2 2 ?
S3 Na Ba1 49.71(17) . 2 ?
S3 Na Ba1 125.7(3) 3 2 ?
Cl1 Na Ba1 134.53(13) 4_554 2 ?
Cl1 Na Ba1 45.47(13) 1_554 2 ?
Ba1 Na Ba1 76.2(2) 3 2 ?
S3 Na Ba1 125.7(3) 2 . ?
S3 Na Ba1 93.3(2) . . ?
S3 Na Ba1 49.71(17) 3 . ?
Cl1 Na Ba1 134.53(13) 4_554 . ?
Cl1 Na Ba1 45.47(13) 1_554 . ?
Ba1 Na Ba1 76.2(2) 3 . ?
Ba1 Na Ba1 76.2(2) 2 . ?
S3 Na Ba1 129.2(4) 2 6 ?
S3 Na Ba1 55.25(17) . 6 ?
S3 Na Ba1 86.7(2) 3 6 ?
Cl1 Na Ba1 44.13(13) 4_554 6 ?
Cl1 Na Ba1 135.87(13) 1_554 6 ?
Ba1 Na Ba1 178.7(3) 3 6 ?
Ba1 Na Ba1 104.788(15) 2 6 ?
Ba1 Na Ba1 104.788(15) . 6 ?
S3 Na Ba1 86.7(2) 2 5 ?
S3 Na Ba1 129.2(4) . 5 ?
S3 Na Ba1 55.25(17) 3 5 ?
Cl1 Na Ba1 44.13(13) 4_554 5 ?
Cl1 Na Ba1 135.87(13) 1_554 5 ?
Ba1 Na Ba1 104.788(15) 3 5 ?
Ba1 Na Ba1 178.7(3) 2 5 ?
Ba1 Na Ba1 104.788(15) . 5 ?
Ba1 Na Ba1 74.2(2) 6 5 ?
S3 Na Ba1 55.25(17) 2 4 ?
S3 Na Ba1 86.7(2) . 4 ?
S3 Na Ba1 129.2(4) 3 4 ?
Cl1 Na Ba1 44.13(13) 4_554 4 ?
Cl1 Na Ba1 135.87(13) 1_554 4 ?
Ba1 Na Ba1 104.788(15) 3 4 ?
Ba1 Na Ba1 104.788(15) 2 4 ?
Ba1 Na Ba1 178.7(3) . 4 ?
Ba1 Na Ba1 74.2(2) 6 4 ?
Ba1 Na Ba1 74.2(2) 5 4 ?
S2 Ge S3 113.42(15) 5 3 ?
S2 Ge S1 115.30(14) 5 . ?
S3 Ge S1 101.87(13) 3 . ?
S2 Ge S1 112.31(14) 5 2_655 ?
S3 Ge S1 104.68(14) 3 2_655 ?
S1 Ge S1 108.24(18) . 2_655 ?
Ge S1 Ge 108.78(15) . 3_665 ?
Ge S1 Ba1 88.34(12) . 6 ?
Ge S1 Ba1 89.11(12) 3_665 6 ?
Ge S2 Ba2 123.59(14) 6_554 . ?
Ge S2 Ba1 94.67(11) 6_554 . ?
Ba2 S2 Ba1 141.74(13) . . ?
Ge S2 Ba1 88.57(12) 6_554 3_665 ?
Ba2 S2 Ba1 87.69(8) . 3_665 ?
Ba1 S2 Ba1 94.62(10) . 3_665 ?
Ge S2 Ba1 85.44(11) 6_554 2 ?
Ba2 S2 Ba1 86.17(8) . 2 ?
Ba1 S2 Ba1 97.20(9) . 2 ?
Ba1 S2 Ba1 167.14(12) 3_665 2 ?
Ge S3 Na 108.32(19) 2 . ?
Ge S3 Ba2 108.47(13) 2 . ?
Na S3 Ba2 142.73(16) . . ?
Ge S3 Ba1 98.97(13) 2 2 ?
Na S3 Ba1 88.1(3) . 2 ?
Ba2 S3 Ba1 91.96(9) . 2 ?
Ge S3 Ba1 88.75(12) 2 6 ?
Na S3 Ba1 84.0(3) . 6 ?
Ba2 S3 Ba1 90.98(9) . 6 ?
Ba1 S3 Ba1 170.41(12) 2 6 ?
Ba1 S4 Ba1 113.86(10) 5_565 4_665 ?
Ba1 S4 Ba1 113.86(10) 5_565 6 ?
Ba1 S4 Ba1 113.86(10) 4_665 6 ?
Ba1 S4 Ba2 104.61(13) 5_565 . ?
Ba1 S4 Ba2 104.61(13) 4_665 . ?
Ba1 S4 Ba2 104.61(13) 6 . ?
Ba1 Cl1 Ba1 119.928(19) 3_556 1_556 ?
Ba1 Cl1 Ba1 119.928(19) 3_556 2_556 ?
Ba1 Cl1 Ba1 119.928(19) 1_556 2_556 ?
Ba1 Cl1 Na 91.5(2) 3_556 4 ?
Ba1 Cl1 Na 91.5(2) 1_556 4 ?
Ba1 Cl1 Na 91.5(2) 2_556 4 ?
Ba1 Cl1 Na 88.5(2) 3_556 1_556 ?
Ba1 Cl1 Na 88.5(2) 1_556 1_556 ?
Ba1 Cl1 Na 88.5(2) 2_556 1_556 ?
Na Cl1 Na 180.000(5) 4 1_556 ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.09
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.593
_refine_diff_density_min         -1.630
_refine_diff_density_rms         0.283
_database_code_depnum_ccdc_archive 'CCDC 989092'
