# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_publication_text
_publ_contact_author_name        'Dr. Jai Prakash'
_publ_contact_author_address     
'Department of Chemistry, Indian Institute of Technology Hyderabad, Kandi Sangareddy, Telangana 502284, India.'
_publ_contact_author_email       jaiprakash@chy.iith.ac.in
loop_
_publ_author_name
_publ_author_address
'Jana, Subhendu'
'Department of Chemistry, Indian Institute of Technology Hyderabad, Kandi Sangareddy, Telangana 502284, India.'
'Prakash, Jai'
'Department of Chemistry, Indian Institute of Technology Hyderabad, Kandi Sangareddy, Telangana 502284, India.'


data_BaSiSbTe
_database_code_depnum_ccdc_archive 'CCDC 2262387'
loop_
_audit_author_name
_audit_author_address
'JAI PRAKASH'
;INDIAN INSTITUTE OF TECHNOLOGY HYDERABAD
India
;
_audit_update_record             
;
2023-06-11 deposited with the CCDC.	2023-06-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/1
_shelx_SHELXL_version_number     2019/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Ba14 Sb8 Si4 Te35'
_chemical_formula_weight         7475.12

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ba Ba -0.3244 2.2819 '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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.5308 1.6751 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_vrf_PLAT971_BaSiSbTe            
;
PROBLEM: Check Calcd Resid. Dens. 1.65Ang From Sb1 5.97 eA-3
RESPONSE: The residual electron densities of 5.97 eA-3, 4.78eA-3,
 4.39 eA-3, 4.22 eA-3, 3.07 eA-3, and 2.59 eA-3 are
not alarming given that the structure contains heavy X-ray absorbing
elements, such as Ba, Si, Sb, and Te. The residual electron 
density near heavy atoms could be an artifact due to the 
limitation of absorption corrections. The observed electron densities
are not much when compared with the 156 eA-3 peak of Te4.
;
_vrf_PLAT972_BaSiSbTe            
;
PROBLEM: Check Calcd Resid. Dens. 0.67Ang From Sb1 -4.52 eA-3
RESPONSE: The residual electron densities of -4.52 eA-3, -4.12 eA-3,
 -3.54 eA-3, and -2.95 eA-3 are
not alarming given that the structure contains heavy X-ray absorbing
elements, such as Ba, Si, Sb, and Te. The residual electron 
density near heavy atoms could be an artifact due to the 
limitation of absorption corrections. The observed electron densities
are not much when compared with the 156 eA-3 peak of Te4.
;

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   24.220(2)
_cell_length_b                   13.3920(16)
_cell_length_c                   13.6129(14)
_cell_angle_alpha                90
_cell_angle_beta                 97.699(4)
_cell_angle_gamma                90
_cell_volume                     4375.7(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    9539
_cell_measurement_theta_min      2.55
_cell_measurement_theta_max      30.45

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    5.674
_exptl_crystal_F_000             6136
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_exptl_absorpt_coefficient_mu    20.107
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4023
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   multi-scan
_exptl_absorpt_special_details   SADABS-2016/2
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            64953
_diffrn_reflns_av_unetI/netI     0.0468
_diffrn_reflns_av_R_equivalents  0.0700
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.143
_diffrn_reflns_theta_max         28.281
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             10838
_reflns_number_gt                8302
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0255P)²+45.6683P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     'SHELXL-2019/1 (Sheldrick 2019)'
_refine_ls_extinction_coef       0.000013(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         10838
_refine_ls_number_parameters     287
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0609
_refine_ls_R_factor_gt           0.0348
_refine_ls_wR_factor_ref         0.0783
_refine_ls_wR_factor_gt          0.0743
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.058
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ba1 Ba 0.04343(2) 0.18833(5) 0.18477(4) 0.02623(13) Uani 1 1 d . . . . .
Ba2 Ba 0.09742(2) 0.81900(4) 0.10772(4) 0.02136(12) Uani 1 1 d . . . . .
Ba3 Ba 0.18167(2) 0.17380(4) 0.48300(4) 0.02183(12) Uani 1 1 d . . . . .
Ba4 Ba 0.32216(2) 0.32772(4) 0.26481(4) 0.01935(11) Uani 1 1 d . . . . .
Ba5 Ba 0.46798(2) 0.18377(4) 0.05881(4) 0.01819(11) Uani 1 1 d . . . . .
Ba6 Ba 0.61322(2) 0.17238(4) 0.32879(4) 0.01964(12) Uani 1 1 d . . . . .
Ba7 Ba 0.76305(2) 0.32426(4) 0.11997(4) 0.02005(12) Uani 1 1 d . . . . .
Si1 Si 0.23117(10) 0.6025(2) 0.15287(18) 0.0205(5) Uani 1 1 d . . . . .
Si2 Si 0.48135(9) 0.40274(19) 0.27996(16) 0.0150(5) Uani 1 1 d . . . . .
Sb1 Sb 0.05367(4) 0.94982(9) 0.39263(6) 0.0682(3) Uani 1 1 d . . . . .
Sb2 Sb 0.14703(3) 0.48746(6) 0.31953(5) 0.02730(15) Uani 1 1 d . . . . .
Sb3 Sb 0.27961(2) 0.03296(5) 0.07204(5) 0.02389(14) Uani 1 1 d . . . . .
Sb4 Sb 0.59866(2) 0.48145(5) 0.14259(5) 0.02353(14) Uani 1 1 d . . . . .
Te1 Te 0.02298(2) 0.43675(6) 0.29172(5) 0.02245(15) Uani 0.91 1 d . . P . .
Te2 Te 0.0325(3) 0.3819(7) 0.3403(6) 0.0285(17) Uani 0.09 1 d . . P . .
Te3 Te 0.03416(2) 0.17787(7) 0.44546(5) 0.03643(19) Uani 1 1 d . . . . .
Te4 Te 0.10159(2) 0.72154(5) 0.35468(4) 0.02038(13) Uani 1 1 d . . . . .
Te5 Te 0.13133(2) 0.55879(5) 0.10113(4) 0.02545(14) Uani 1 1 d . . . . .
Te6 Te 0.13902(2) 0.00681(5) 0.28984(4) 0.02057(13) Uani 1 1 d . . . . .
Te7 Te 0.16376(2) 0.06408(5) 0.03331(4) 0.02077(13) Uani 1 1 d . . . . .
Te8 Te 0.17873(2) 0.29443(5) 0.24775(4) 0.01854(12) Uani 1 1 d . . . . .
Te9 Te 0.24942(2) 0.78443(5) 0.12369(4) 0.01919(12) Uani 1 1 d . . . . .
Te10 Te 0.26354(2) 0.56712(5) 0.33512(4) 0.01839(12) Uani 1 1 d . . . . .
Te11 Te 0.29002(2) 0.05889(5) 0.28283(4) 0.01949(13) Uani 1 1 d . . . . .
Te12 Te 0.29250(2) 0.49647(5) 0.05945(4) 0.02134(13) Uani 1 1 d . . . . .
Te13 Te 0.32041(2) 0.22014(5) 0.02389(4) 0.01839(12) Uani 1 1 d . . . . .
Te14 Te 0.45953(2) 0.44316(5) 0.10223(4) 0.02253(13) Uani 1 1 d . . . . .
Te15 Te 0.46604(2) 0.22048(4) 0.31459(4) 0.01694(12) Uani 1 1 d . . . . .
Te16 Te 0.57652(2) 0.00507(4) 0.11982(4) 0.01680(12) Uani 1 1 d . . . . .
Te17 Te 0.58393(2) 0.44434(5) 0.34105(4) 0.01814(12) Uani 1 1 d . . . . .
Te18 Te 0.61415(2) 0.28283(5) 0.09010(4) 0.01804(12) Uani 1 1 d . . . . .
Te19 Te 0.000000 0.000000 0.000000 0.0349(2) Uani 1 2 d S . P . .


_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 Te2 3.380(7) . ?
Ba1 Te4 3.5098(8) 2_545 ?
Ba1 Te6 3.5253(9) . ?
Ba1 Te8 3.5693(8) . ?
Ba1 Te3 3.5885(10) . ?
Ba1 Te19 3.6173(7) . ?
Ba1 Te1 3.6913(10) . ?
Ba1 Te3 3.6984(10) 4_565 ?
Ba1 Te1 3.7656(10) 2_545 ?
Ba2 Te2 3.422(6) 2 ?
Ba2 Te4 3.5019(8) 4_575 ?
Ba2 Te19 3.5589(6) 1_565 ?
Ba2 Te6 3.5803(8) 1_565 ?
Ba2 Te5 3.5842(10) . ?
Ba2 Te4 3.5951(8) . ?
Ba2 Te9 3.6879(8) . ?
Ba2 Te3 3.6926(9) 2 ?
Ba2 Te1 3.7330(9) 2 ?
Ba2 Te7 3.8491(9) 1_565 ?
Ba2 Ba7 4.6701(8) 2_655 ?
Ba3 Te6 3.5007(8) . ?
Ba3 Te3 3.5411(8) . ?
Ba3 Te12 3.5693(8) 4_566 ?
Ba3 Te8 3.5790(9) . ?
Ba3 Te7 3.6137(10) 4_566 ?
Ba3 Te13 3.6219(8) 4_566 ?
Ba3 Te8 3.6393(9) 4_566 ?
Ba3 Te5 3.7814(9) 4_566 ?
Ba3 Ba4 4.7747(8) 4_566 ?
Ba4 Te8 3.4792(8) . ?
Ba4 Te13 3.5772(8) . ?
Ba4 Te13 3.5904(8) 4_566 ?
Ba4 Te12 3.5917(8) . ?
Ba4 Te16 3.6191(8) 2_655 ?
Ba4 Te10 3.6843(9) . ?
Ba4 Te11 3.6984(9) . ?
Ba4 Te15 3.7462(8) . ?
Ba5 Te15 3.5229(8) . ?
Ba5 Te14 3.5342(9) . ?
Ba5 Te15 3.5578(8) 4_565 ?
Ba5 Te16 3.5697(8) . ?
Ba5 Te16 3.5732(8) 3_655 ?
Ba5 Te13 3.5752(8) . ?
Ba5 Te18 3.7511(8) . ?
Ba5 Te17 3.7654(9) 2_645 ?
Ba5 Ba6 4.7372(8) . ?
Ba6 Te12 3.4853(8) 2_645 ?
Ba6 Te18 3.5730(8) . ?
Ba6 Te15 3.6020(8) . ?
Ba6 Te18 3.6044(8) 4_566 ?
Ba6 Te9 3.6279(8) 2_645 ?
Ba6 Te16 3.6367(8) . ?
Ba6 Te17 3.7186(9) . ?
Ba6 Te14 3.7220(9) 2_645 ?
Ba7 Te6 3.5113(8) 2_655 ?
Ba7 Te4 3.5293(8) 2_645 ?
Ba7 Te12 3.5579(8) 3_665 ?
Ba7 Te10 3.5710(9) 2_645 ?
Ba7 Te9 3.5826(8) 2_645 ?
Ba7 Te9 3.5977(8) 3_665 ?
Ba7 Te18 3.6176(8) . ?
Ba7 Te11 3.7057(9) 2_655 ?
Si1 Te5 2.496(2) . ?
Si1 Te9 2.517(3) . ?
Si1 Te12 2.519(3) . ?
Si1 Te10 2.544(2) . ?
Si2 Te14 2.466(2) . ?
Si2 Te16 2.493(2) 2_655 ?
Si2 Te15 2.523(3) . ?
Si2 Te17 2.573(2) . ?
Sb1 Te6 2.7549(10) 1_565 ?
Sb1 Te1 2.9201(11) 2 ?
Sb1 Te3 3.1873(16) 1_565 ?
Sb1 Te5 3.1901(10) 4_576 ?
Sb2 Te8 2.9030(10) . ?
Sb2 Te7 2.9652(9) 4_566 ?
Sb2 Te10 2.9978(8) . ?
Sb2 Te1 3.0538(9) . ?
Sb2 Te5 3.0973(9) . ?
Sb2 Te2 3.159(7) . ?
Sb3 Te13 2.8043(9) . ?
Sb3 Te7 2.8159(8) . ?
Sb3 Te11 2.8678(9) . ?
Sb4 Te18 2.7925(9) . ?
Sb4 Te17 2.8163(9) . ?
Sb4 Te11 2.9397(8) 2_655 ?
Te1 Te2 0.995(9) . ?
Te1 Te19 3.0804(7) 2 ?
Te2 Te19 2.882(7) 2 ?
Te2 Te3 3.082(10) . ?

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
Te2 Ba1 Te4 80.68(11) . 2_545 ?
Te2 Ba1 Te6 112.14(15) . . ?
Te4 Ba1 Te6 137.63(2) 2_545 . ?
Te2 Ba1 Te8 71.97(11) . . ?
Te4 Ba1 Te8 148.66(2) 2_545 . ?
Te6 Ba1 Te8 69.216(18) . . ?
Te2 Ba1 Te3 52.40(16) . . ?
Te4 Ba1 Te3 87.840(19) 2_545 . ?
Te6 Ba1 Te3 72.337(19) . . ?
Te8 Ba1 Te3 87.423(19) . . ?
Te2 Ba1 Te19 158.52(12) . . ?
Te4 Ba1 Te19 77.885(15) 2_545 . ?
Te6 Ba1 Te19 85.143(18) . . ?
Te8 Ba1 Te19 128.076(19) . . ?
Te3 Ba1 Te19 127.56(2) . . ?
Te2 Ba1 Te1 15.37(15) . . ?
Te4 Ba1 Te1 76.216(18) 2_545 . ?
Te6 Ba1 Te1 125.24(2) . . ?
Te8 Ba1 Te1 73.371(18) . . ?
Te3 Ba1 Te1 67.40(2) . . ?
Te19 Ba1 Te1 149.400(19) . . ?
Te2 Ba1 Te3 100.35(16) . 4_565 ?
Te4 Ba1 Te3 82.094(18) 2_545 4_565 ?
Te6 Ba1 Te3 130.58(2) . 4_565 ?
Te8 Ba1 Te3 87.944(19) . 4_565 ?
Te3 Ba1 Te3 152.32(2) . 4_565 ?
Te19 Ba1 Te3 75.382(19) . 4_565 ?
Te1 Ba1 Te3 85.14(2) . 4_565 ?
Te2 Ba1 Te1 124.25(13) . 2_545 ?
Te4 Ba1 Te1 72.314(18) 2_545 2_545 ?
Te6 Ba1 Te1 67.255(19) . 2_545 ?
Te8 Ba1 Te1 136.45(2) . 2_545 ?
Te3 Ba1 Te1 78.29(2) . 2_545 ?
Te19 Ba1 Te1 49.272(14) . 2_545 ?
Te1 Ba1 Te1 133.744(17) . 2_545 ?
Te3 Ba1 Te1 122.15(2) 4_565 2_545 ?
Te2 Ba2 Te4 112.95(13) 2 4_575 ?
Te2 Ba2 Te19 48.71(12) 2 1_565 ?
Te4 Ba2 Te19 78.768(15) 4_575 1_565 ?
Te2 Ba2 Te6 82.26(16) 2 1_565 ?
Te4 Ba2 Te6 138.38(2) 4_575 1_565 ?
Te19 Ba2 Te6 85.204(17) 1_565 1_565 ?
Te2 Ba2 Te5 117.69(15) 2 . ?
Te4 Ba2 Te5 77.747(18) 4_575 . ?
Te19 Ba2 Te5 142.504(18) 1_565 . ?
Te6 Ba2 Te5 131.01(2) 1_565 . ?
Te2 Ba2 Te4 78.91(12) 2 . ?
Te4 Ba2 Te4 149.613(19) 4_575 . ?
Te19 Ba2 Te4 124.512(18) 1_565 . ?
Te6 Ba2 Te4 68.744(18) 1_565 . ?
Te5 Ba2 Te4 72.095(18) . . ?
Te2 Ba2 Te9 163.17(15) 2 . ?
Te4 Ba2 Te9 83.016(17) 4_575 . ?
Te19 Ba2 Te9 135.34(2) 1_565 . ?
Te6 Ba2 Te9 82.025(17) 1_565 . ?
Te5 Ba2 Te9 69.459(16) . . ?
Te4 Ba2 Te9 89.801(17) . . ?
Te2 Ba2 Te3 51.17(16) 2 2 ?
Te4 Ba2 Te3 82.283(18) 4_575 2 ?
Te19 Ba2 Te3 76.152(18) 1_565 2 ?
Te6 Ba2 Te3 130.60(2) 1_565 2 ?
Te5 Ba2 Te3 72.07(2) . 2 ?
Te4 Ba2 Te3 85.001(19) . 2 ?
Te9 Ba2 Te3 140.88(2) . 2 ?
Te2 Ba2 Te1 15.19(16) 2 2 ?
Te4 Ba2 Te1 123.58(2) 4_575 2 ?
Te19 Ba2 Te1 49.909(14) 1_565 2 ?
Te6 Ba2 Te1 67.079(18) 1_565 2 ?
Te5 Ba2 Te1 127.79(2) . 2 ?
Te4 Ba2 Te1 74.686(18) . 2 ?
Te9 Ba2 Te1 148.67(2) . 2 ?
Te3 Ba2 Te1 65.92(2) 2 2 ?
Te2 Ba2 Te7 105.80(14) 2 1_565 ?
Te4 Ba2 Te7 78.770(18) 4_575 1_565 ?
Te19 Ba2 Te7 65.664(15) 1_565 1_565 ?
Te6 Ba2 Te7 59.640(17) 1_565 1_565 ?
Te5 Ba2 Te7 135.83(2) . 1_565 ?
Te4 Ba2 Te7 126.53(2) . 1_565 ?
Te9 Ba2 Te7 70.972(17) . 1_565 ?
Te3 Ba2 Te7 139.87(2) 2 1_565 ?
Te1 Ba2 Te7 96.34(2) 2 1_565 ?
Te2 Ba2 Ba7 114.84(14) 2 2_655 ?
Te4 Ba2 Ba7 132.063(18) 4_575 2_655 ?
Te19 Ba2 Ba7 133.321(17) 1_565 2_655 ?
Te6 Ba2 Ba7 48.177(14) 1_565 2_655 ?
Te5 Ba2 Ba7 83.721(15) . 2_655 ?
Te4 Ba2 Ba7 48.434(13) . 2_655 ?
Te9 Ba2 Ba7 49.051(13) . 2_655 ?
Te3 Ba2 Ba7 132.615(19) 2 2_655 ?
Te1 Ba2 Ba7 102.728(18) 2 2_655 ?
Te7 Ba2 Ba7 85.002(15) 1_565 2_655 ?
Te6 Ba3 Te3 73.198(18) . . ?
Te6 Ba3 Te12 86.88(2) . 4_566 ?
Te3 Ba3 Te12 139.18(2) . 4_566 ?
Te6 Ba3 Te8 69.375(19) . . ?
Te3 Ba3 Te8 88.002(19) . . ?
Te12 Ba3 Te8 118.25(2) 4_566 . ?
Te6 Ba3 Te7 137.06(2) . 4_566 ?
Te3 Ba3 Te7 82.41(2) . 4_566 ?
Te12 Ba3 Te7 132.07(2) 4_566 4_566 ?
Te8 Ba3 Te7 75.082(18) . 4_566 ?
Te6 Ba3 Te13 122.70(2) . 4_566 ?
Te3 Ba3 Te13 155.99(3) . 4_566 ?
Te12 Ba3 Te13 63.877(18) 4_566 4_566 ?
Te8 Ba3 Te13 82.376(17) . 4_566 ?
Te7 Ba3 Te13 73.884(17) 4_566 4_566 ?
Te6 Ba3 Te8 140.86(2) . 4_566 ?
Te3 Ba3 Te8 89.305(19) . 4_566 ?
Te12 Ba3 Te8 84.244(17) 4_566 4_566 ?
Te8 Ba3 Te8 146.374(19) . 4_566 ?
Te7 Ba3 Te8 71.338(17) 4_566 4_566 ?
Te13 Ba3 Te8 86.724(17) 4_566 4_566 ?
Te6 Ba3 Te5 73.364(19) . 4_566 ?
Te3 Ba3 Te5 72.393(19) . 4_566 ?
Te12 Ba3 Te5 67.823(18) 4_566 4_566 ?
Te8 Ba3 Te5 141.57(2) . 4_566 ?
Te7 Ba3 Te5 131.75(2) 4_566 4_566 ?
Te13 Ba3 Te5 127.088(19) 4_566 4_566 ?
Te8 Ba3 Te5 67.973(17) 4_566 4_566 ?
Te6 Ba3 Ba4 135.041(19) . 4_566 ?
Te3 Ba3 Ba4 135.452(19) . 4_566 ?
Te12 Ba3 Ba4 48.383(14) 4_566 4_566 ?
Te8 Ba3 Ba4 130.350(17) . 4_566 ?
Te7 Ba3 Ba4 86.711(15) 4_566 4_566 ?
Te13 Ba3 Ba4 48.053(13) 4_566 4_566 ?
Te8 Ba3 Ba4 46.467(13) 4_566 4_566 ?
Te5 Ba3 Ba4 83.714(15) 4_566 4_566 ?
Te8 Ba4 Te13 89.895(17) . . ?
Te8 Ba4 Te13 84.238(17) . 4_566 ?
Te13 Ba4 Te13 145.938(18) . 4_566 ?
Te8 Ba4 Te12 86.267(17) . . ?
Te13 Ba4 Te12 64.103(18) . . ?
Te13 Ba4 Te12 148.15(2) 4_566 . ?
Te8 Ba4 Te16 136.55(2) . 2_655 ?
Te13 Ba4 Te16 125.89(2) . 2_655 ?
Te13 Ba4 Te16 77.726(16) 4_566 2_655 ?
Te12 Ba4 Te16 88.747(19) . 2_655 ?
Te8 Ba4 Te10 73.308(17) . . ?
Te13 Ba4 Te10 129.124(19) . . ?
Te13 Ba4 Te10 81.054(18) 4_566 . ?
Te12 Ba4 Te10 67.097(18) . . ?
Te16 Ba4 Te10 65.082(16) 2_655 . ?
Te8 Ba4 Te11 70.279(16) . . ?
Te13 Ba4 Te11 72.063(17) . . ?
Te13 Ba4 Te11 74.382(17) 4_566 . ?
Te12 Ba4 Te11 129.956(19) . . ?
Te16 Ba4 Te11 138.292(19) 2_655 . ?
Te10 Ba4 Te11 137.56(2) . . ?
Te8 Ba4 Te15 149.24(2) . . ?
Te13 Ba4 Te15 84.715(17) . . ?
Te13 Ba4 Te15 83.511(16) 4_566 . ?
Te12 Ba4 Te15 117.789(19) . . ?
Te16 Ba4 Te15 67.219(16) 2_655 . ?
Te10 Ba4 Te15 131.922(19) . . ?
Te11 Ba4 Te15 79.267(17) . . ?
Te8 Ba4 Ba3 49.316(14) . 4_565 ?
Te13 Ba4 Ba3 48.856(13) . 4_565 ?
Te13 Ba4 Ba3 133.436(17) 4_566 4_565 ?
Te12 Ba4 Ba3 47.982(14) . 4_565 ?
Te16 Ba4 Ba3 136.079(18) 2_655 4_565 ?
Te10 Ba4 Ba3 87.392(15) . 4_565 ?
Te11 Ba4 Ba3 85.152(14) . 4_565 ?
Te15 Ba4 Ba3 133.571(17) . 4_565 ?
Te15 Ba5 Te14 71.868(17) . . ?
Te15 Ba5 Te15 150.812(18) . 4_565 ?
Te14 Ba5 Te15 78.944(18) . 4_565 ?
Te15 Ba5 Te16 88.309(17) . . ?
Te14 Ba5 Te16 132.64(2) . . ?
Te15 Ba5 Te16 112.094(19) 4_565 . ?
Te15 Ba5 Te16 136.77(2) . 3_655 ?
Te14 Ba5 Te16 142.24(2) . 3_655 ?
Te15 Ba5 Te16 69.765(17) 4_565 3_655 ?
Te16 Ba5 Te16 80.178(18) . 3_655 ?
Te15 Ba5 Te13 88.110(17) . . ?
Te14 Ba5 Te13 78.995(17) . . ?
Te15 Ba5 Te13 86.493(17) 4_565 . ?
Te16 Ba5 Te13 144.51(2) . . ?
Te16 Ba5 Te13 78.519(16) 3_655 . ?
Te15 Ba5 Te18 88.610(16) . . ?
Te14 Ba5 Te18 73.039(17) . . ?
Te15 Ba5 Te18 82.687(17) 4_565 . ?
Te16 Ba5 Te18 63.657(17) . . ?
Te16 Ba5 Te18 121.437(18) 3_655 . ?
Te13 Ba5 Te18 151.45(2) . . ?
Te15 Ba5 Te17 73.248(17) . 2_645 ?
Te14 Ba5 Te17 138.31(2) . 2_645 ?
Te15 Ba5 Te17 132.994(19) 4_565 2_645 ?
Te16 Ba5 Te17 67.425(17) . 2_645 ?
Te16 Ba5 Te17 63.819(17) 3_655 2_645 ?
Te13 Ba5 Te17 77.751(17) . 2_645 ?
Te18 Ba5 Te17 128.015(18) . 2_645 ?
Te15 Ba5 Ba6 49.045(13) . . ?
Te14 Ba5 Ba6 87.449(15) . . ?
Te15 Ba5 Ba6 130.695(17) 4_565 . ?
Te16 Ba5 Ba6 49.514(13) . . ?
Te16 Ba5 Ba6 129.057(18) 3_655 . ?
Te13 Ba5 Ba6 137.120(18) . . ?
Te18 Ba5 Ba6 48.076(13) . . ?
Te17 Ba5 Ba6 86.617(15) 2_645 . ?
Te12 Ba6 Te18 126.39(2) 2_645 . ?
Te12 Ba6 Te15 136.89(2) 2_645 . ?
Te18 Ba6 Te15 90.222(17) . . ?
Te12 Ba6 Te18 76.384(17) 2_645 4_566 ?
Te18 Ba6 Te18 145.957(18) . 4_566 ?
Te15 Ba6 Te18 84.176(17) . 4_566 ?
Te12 Ba6 Te9 70.744(18) 2_645 2_645 ?
Te18 Ba6 Te9 82.737(17) . 2_645 ?
Te15 Ba6 Te9 144.38(2) . 2_645 ?
Te18 Ba6 Te9 82.580(17) 4_566 2_645 ?
Te12 Ba6 Te16 90.13(2) 2_645 . ?
Te18 Ba6 Te16 64.807(17) . . ?
Te15 Ba6 Te16 86.086(17) . . ?
Te18 Ba6 Te16 147.46(2) 4_566 . ?
Te9 Ba6 Te16 121.100(19) 2_645 . ?
Te12 Ba6 Te17 139.48(2) 2_645 . ?
Te18 Ba6 Te17 70.113(17) . . ?
Te15 Ba6 Te17 68.523(16) . . ?
Te18 Ba6 Te17 76.627(17) 4_566 . ?
Te9 Ba6 Te17 76.278(17) 2_645 . ?
Te16 Ba6 Te17 127.621(19) . . ?
Te12 Ba6 Te14 68.719(18) 2_645 2_645 ?
Te18 Ba6 Te14 129.176(19) . 2_645 ?
Te15 Ba6 Te14 70.274(17) . 2_645 ?
Te18 Ba6 Te14 80.148(17) 4_566 2_645 ?
Te9 Ba6 Te14 138.59(2) 2_645 2_645 ?
Te16 Ba6 Te14 67.344(17) . 2_645 ?
Te17 Ba6 Te14 134.18(2) . 2_645 ?
Te12 Ba6 Ba5 137.342(19) 2_645 . ?
Te18 Ba6 Ba5 51.363(13) . . ?
Te15 Ba6 Ba5 47.615(13) . . ?
Te18 Ba6 Ba5 131.766(17) 4_566 . ?
Te9 Ba6 Ba5 133.863(18) 2_645 . ?
Te16 Ba6 Ba5 48.293(13) . . ?
Te17 Ba6 Ba5 82.934(14) . . ?
Te14 Ba6 Ba5 83.962(15) 2_645 . ?
Te6 Ba7 Te4 70.252(18) 2_655 2_645 ?
Te6 Ba7 Te12 86.90(2) 2_655 3_665 ?
Te4 Ba7 Te12 126.23(2) 2_645 3_665 ?
Te6 Ba7 Te10 137.77(2) 2_655 2_645 ?
Te4 Ba7 Te10 78.105(18) 2_645 2_645 ?
Te12 Ba7 Te10 135.06(2) 3_665 2_645 ?
Te6 Ba7 Te9 84.505(17) 2_655 2_645 ?
Te4 Ba7 Te9 92.587(17) 2_645 2_645 ?
Te12 Ba7 Te9 134.08(2) 3_665 2_645 ?
Te10 Ba7 Te9 69.451(17) 2_645 2_645 ?
Te6 Ba7 Te9 124.99(2) 2_655 3_665 ?
Te4 Ba7 Te9 83.951(18) 2_645 3_665 ?
Te12 Ba7 Te9 70.292(18) 3_665 3_665 ?
Te10 Ba7 Te9 76.875(18) 2_645 3_665 ?
Te9 Ba7 Te9 146.115(19) 2_645 3_665 ?
Te6 Ba7 Te18 139.69(2) 2_655 . ?
Te4 Ba7 Te18 148.23(2) 2_645 . ?
Te12 Ba7 Te18 75.325(17) 3_665 . ?
Te10 Ba7 Te18 70.816(16) 2_645 . ?
Te9 Ba7 Te18 82.749(17) 2_645 . ?
Te9 Ba7 Te18 82.819(16) 3_665 . ?
Te6 Ba7 Te11 62.300(17) 2_655 2_655 ?
Te4 Ba7 Te11 131.13(2) 2_645 2_655 ?
Te12 Ba7 Te11 63.614(17) 3_665 2_655 ?
Te10 Ba7 Te11 132.64(2) 2_645 2_655 ?
Te9 Ba7 Te11 72.536(17) 2_645 2_655 ?
Te9 Ba7 Te11 132.997(19) 3_665 2_655 ?
Te18 Ba7 Te11 77.402(17) . 2_655 ?
Te6 Ba7 Ba2 49.451(14) 2_655 2_645 ?
Te4 Ba7 Ba2 49.653(14) 2_645 2_645 ?
Te12 Ba7 Ba2 136.216(19) 3_665 2_645 ?
Te10 Ba7 Ba2 88.711(15) 2_645 2_645 ?
Te9 Ba7 Ba2 51.031(14) 2_645 2_645 ?
Te9 Ba7 Ba2 133.484(18) 3_665 2_645 ?
Te18 Ba7 Ba2 133.742(18) . 2_645 ?
Te11 Ba7 Ba2 88.746(15) 2_655 2_645 ?
Te5 Si1 Te9 111.51(10) . . ?
Te5 Si1 Te12 109.86(10) . . ?
Te9 Si1 Te12 109.76(9) . . ?
Te5 Si1 Te10 113.07(9) . . ?
Te9 Si1 Te10 107.25(9) . . ?
Te12 Si1 Te10 105.17(9) . . ?
Te14 Si2 Te16 110.72(9) . 2_655 ?
Te14 Si2 Te15 112.21(9) . . ?
Te16 Si2 Te15 108.79(9) 2_655 . ?
Te14 Si2 Te17 109.89(9) . . ?
Te16 Si2 Te17 107.06(9) 2_655 . ?
Te15 Si2 Te17 107.99(8) . . ?
Te6 Sb1 Te1 90.81(3) 1_565 2 ?
Te6 Sb1 Te3 89.60(3) 1_565 1_565 ?
Te1 Sb1 Te3 98.91(4) 2 1_565 ?
Te6 Sb1 Te5 93.94(3) 1_565 4_576 ?
Te1 Sb1 Te5 173.55(4) 2 4_576 ?
Te3 Sb1 Te5 85.49(3) 1_565 4_576 ?
Te8 Sb2 Te7 96.64(3) . 4_566 ?
Te8 Sb2 Te10 92.97(2) . . ?
Te7 Sb2 Te10 90.56(2) 4_566 . ?
Te8 Sb2 Te1 93.46(3) . . ?
Te7 Sb2 Te1 94.17(3) 4_566 . ?
Te10 Sb2 Te1 171.52(3) . . ?
Te8 Sb2 Te5 87.45(2) . . ?
Te7 Sb2 Te5 175.45(3) 4_566 . ?
Te10 Sb2 Te5 87.22(2) . . ?
Te1 Sb2 Te5 87.56(2) . . ?
Te8 Sb2 Te2 84.65(15) . . ?
Te7 Sb2 Te2 79.28(15) 4_566 . ?
Te10 Sb2 Te2 169.20(17) . . ?
Te1 Sb2 Te2 18.33(16) . . ?
Te5 Sb2 Te2 103.16(15) . . ?
Te13 Sb3 Te7 101.39(3) . . ?
Te13 Sb3 Te11 98.00(3) . . ?
Te7 Sb3 Te11 96.97(3) . . ?
Te18 Sb4 Te17 96.66(3) . . ?
Te18 Sb4 Te11 106.02(3) . 2_655 ?
Te17 Sb4 Te11 87.66(2) . 2_655 ?
Te2 Te1 Sb1 132.9(4) . 2_545 ?
Te2 Te1 Sb2 86.8(4) . . ?
Sb1 Te1 Sb2 126.50(3) 2_545 . ?
Te2 Te1 Te19 69.2(4) . 2 ?
Sb1 Te1 Te19 127.02(3) 2_545 2 ?
Sb2 Te1 Te19 96.94(2) . 2 ?
Te2 Te1 Ba1 64.3(4) . . ?
Sb1 Te1 Ba1 79.54(3) 2_545 . ?
Sb2 Te1 Ba1 93.87(2) . . ?
Te19 Te1 Ba1 131.39(3) 2 . ?
Te2 Te1 Ba2 64.4(4) . 2_545 ?
Sb1 Te1 Ba2 84.41(3) 2_545 2_545 ?
Sb2 Te1 Ba2 148.47(3) . 2_545 ?
Te19 Te1 Ba2 62.111(15) 2 2_545 ?
Ba1 Te1 Ba2 85.22(2) . 2_545 ?
Te2 Te1 Ba1 131.9(4) . 2 ?
Sb1 Te1 Ba1 77.86(3) 2_545 2 ?
Sb2 Te1 Ba1 102.41(3) . 2 ?
Te19 Te1 Ba1 62.857(16) 2 2 ?
Ba1 Te1 Ba1 157.120(19) . 2 ?
Ba2 Te1 Ba1 89.04(2) 2_545 2 ?
Te1 Te2 Te19 92.0(5) . 2 ?
Te1 Te2 Te3 161.9(5) . . ?
Te19 Te2 Te3 97.1(2) 2 . ?
Te1 Te2 Sb2 74.8(4) . . ?
Te19 Te2 Sb2 98.9(2) 2 . ?
Te3 Te2 Sb2 118.8(2) . . ?
Te1 Te2 Ba1 100.4(4) . . ?
Te19 Te2 Ba1 161.0(3) 2 . ?
Te3 Te2 Ba1 67.28(17) . . ?
Sb2 Te2 Ba1 98.26(17) . . ?
Te1 Te2 Ba2 100.4(4) . 2_545 ?
Te19 Te2 Ba2 68.12(13) 2 2_545 ?
Te3 Te2 Ba2 68.95(16) . 2_545 ?
Sb2 Te2 Ba2 166.3(3) . 2_545 ?
Ba1 Te2 Ba2 95.27(18) . 2_545 ?
Te2 Te3 Sb1 137.55(13) . 1_545 ?
Te2 Te3 Ba3 91.76(12) . . ?
Sb1 Te3 Ba3 80.83(2) 1_545 . ?
Te2 Te3 Ba1 60.33(13) . . ?
Sb1 Te3 Ba1 77.49(2) 1_545 . ?
Ba3 Te3 Ba1 87.004(19) . . ?
Te2 Te3 Ba2 59.88(12) . 2_545 ?
Sb1 Te3 Ba2 126.61(3) 1_545 2_545 ?
Ba3 Te3 Ba2 149.75(3) . 2_545 ?
Ba1 Te3 Ba2 87.30(2) . 2_545 ?
Te2 Te3 Ba1 88.56(13) . 4_566 ?
Sb1 Te3 Ba1 132.04(3) 1_545 4_566 ?
Ba3 Te3 Ba1 86.520(19) . 4_566 ?
Ba1 Te3 Ba1 147.97(3) . 4_566 ?
Ba2 Te3 Ba1 82.743(19) 2_545 4_566 ?
Ba2 Te4 Ba1 88.319(18) 4_576 2 ?
Ba2 Te4 Ba7 96.493(18) 4_576 2_655 ?
Ba1 Te4 Ba7 164.12(2) 2 2_655 ?
Ba2 Te4 Ba2 167.21(2) 4_576 . ?
Ba1 Te4 Ba2 90.045(18) 2 . ?
Ba7 Te4 Ba2 81.911(17) 2_655 . ?
Si1 Te5 Sb2 79.15(6) . . ?
Si1 Te5 Sb1 133.87(6) . 4_575 ?
Sb2 Te5 Sb1 145.57(3) . 4_575 ?
Si1 Te5 Ba2 88.93(7) . . ?
Sb2 Te5 Ba2 105.96(2) . . ?
Sb1 Te5 Ba2 87.00(3) 4_575 . ?
Si1 Te5 Ba3 87.59(6) . 4_565 ?
Sb2 Te5 Ba3 98.57(2) . 4_565 ?
Sb1 Te5 Ba3 77.12(2) 4_575 4_565 ?
Ba2 Te5 Ba3 154.09(2) . 4_565 ?
Sb1 Te6 Ba3 87.79(3) 1_545 . ?
Sb1 Te6 Ba7 98.47(3) 1_545 2_645 ?
Ba3 Te6 Ba7 93.704(19) . 2_645 ?
Sb1 Te6 Ba1 84.28(3) 1_545 . ?
Ba3 Te6 Ba1 88.62(2) . . ?
Ba7 Te6 Ba1 176.46(2) 2_645 . ?
Sb1 Te6 Ba2 89.79(3) 1_545 1_545 ?
Ba3 Te6 Ba2 175.05(2) . 1_545 ?
Ba7 Te6 Ba2 82.371(19) 2_645 1_545 ?
Ba1 Te6 Ba2 95.44(2) . 1_545 ?
Sb3 Te7 Sb2 98.69(3) . 4_565 ?
Sb3 Te7 Ba3 92.14(2) . 4_565 ?
Sb2 Te7 Ba3 92.54(2) 4_565 4_565 ?
Sb3 Te7 Ba2 105.37(2) . 1_545 ?
Sb2 Te7 Ba2 93.03(2) 4_565 1_545 ?
Ba3 Te7 Ba2 160.58(2) 4_565 1_545 ?
Sb2 Te8 Ba4 99.80(2) . . ?
Sb2 Te8 Ba1 99.19(2) . . ?
Ba4 Te8 Ba1 160.63(2) . . ?
Sb2 Te8 Ba3 94.31(2) . . ?
Ba4 Te8 Ba3 95.631(18) . . ?
Ba1 Te8 Ba3 86.722(18) . . ?
Sb2 Te8 Ba3 105.69(2) . 4_565 ?
Ba4 Te8 Ba3 84.217(17) . 4_565 ?
Ba1 Te8 Ba3 87.008(18) . 4_565 ?
Ba3 Te8 Ba3 159.75(2) . 4_565 ?
Si1 Te9 Ba7 87.18(6) . 2_655 ?
Si1 Te9 Ba7 76.06(6) . 3_665 ?
Ba7 Te9 Ba7 161.92(2) 2_655 3_665 ?
Si1 Te9 Ba6 75.39(6) . 2_655 ?
Ba7 Te9 Ba6 94.755(18) 2_655 2_655 ?
Ba7 Te9 Ba6 87.637(17) 3_665 2_655 ?
Si1 Te9 Ba2 86.32(6) . . ?
Ba7 Te9 Ba2 79.918(16) 2_655 . ?
Ba7 Te9 Ba2 92.096(17) 3_665 . ?
Ba6 Te9 Ba2 161.22(2) 2_655 . ?
Si1 Te10 Sb2 80.39(6) . . ?
Si1 Te10 Ba7 87.03(6) . 2_655 ?
Sb2 Te10 Ba7 99.53(2) . 2_655 ?
Si1 Te10 Ba4 89.31(6) . . ?
Sb2 Te10 Ba4 93.66(2) . . ?
Ba7 Te10 Ba4 165.52(2) 2_655 . ?
Sb3 Te11 Sb4 104.86(2) . 2_645 ?
Sb3 Te11 Ba4 92.44(2) . . ?
Sb4 Te11 Ba4 100.07(2) 2_645 . ?
Sb3 Te11 Ba7 105.45(2) . 2_645 ?
Sb4 Te11 Ba7 85.61(2) 2_645 2_645 ?
Ba4 Te11 Ba7 159.27(2) . 2_645 ?
Si1 Te12 Ba6 78.16(6) . 2_655 ?
Si1 Te12 Ba7 76.81(6) . 3_665 ?
Ba6 Te12 Ba7 90.51(2) 2_655 3_665 ?
Si1 Te12 Ba3 92.06(6) . 4_565 ?
Ba6 Te12 Ba3 169.18(2) 2_655 4_565 ?
Ba7 Te12 Ba3 91.745(19) 3_665 4_565 ?
Si1 Te12 Ba4 91.82(6) . . ?
Ba6 Te12 Ba4 91.979(19) 2_655 . ?
Ba7 Te12 Ba4 167.60(2) 3_665 . ?
Ba3 Te12 Ba4 83.635(19) 4_565 . ?
Sb3 Te13 Ba5 102.97(2) . . ?
Sb3 Te13 Ba4 96.14(2) . . ?
Ba5 Te13 Ba4 92.529(17) . . ?
Sb3 Te13 Ba4 96.95(2) . 4_565 ?
Ba5 Te13 Ba4 87.891(17) . 4_565 ?
Ba4 Te13 Ba4 166.47(2) . 4_565 ?
Sb3 Te13 Ba3 92.16(2) . 4_565 ?
Ba5 Te13 Ba3 164.64(2) . 4_565 ?
Ba4 Te13 Ba3 83.091(17) . 4_565 ?
Ba4 Te13 Ba3 92.972(17) 4_565 4_565 ?
Si2 Te14 Ba5 86.49(6) . . ?
Si2 Te14 Ba6 88.86(6) . 2_655 ?
Ba5 Te14 Ba6 153.23(2) . 2_655 ?
Si2 Te15 Ba5 85.91(5) . . ?
Si2 Te15 Ba5 80.91(5) . 4_566 ?
Ba5 Te15 Ba5 166.81(2) . 4_566 ?
Si2 Te15 Ba6 90.80(5) . . ?
Ba5 Te15 Ba6 83.340(16) . . ?
Ba5 Te15 Ba6 97.194(17) 4_566 . ?
Si2 Te15 Ba4 75.62(5) . . ?
Ba5 Te15 Ba4 90.569(17) . . ?
Ba5 Te15 Ba4 85.775(17) 4_566 . ?
Ba6 Te15 Ba4 165.52(2) . . ?
Si2 Te16 Ba5 92.60(6) 2_645 . ?
Si2 Te16 Ba5 80.96(6) 2_645 3_655 ?
Ba5 Te16 Ba5 99.821(18) . 3_655 ?
Si2 Te16 Ba4 78.47(5) 2_645 2_645 ?
Ba5 Te16 Ba4 167.52(2) . 2_645 ?
Ba5 Te16 Ba4 87.479(19) 3_655 2_645 ?
Si2 Te16 Ba6 90.41(6) 2_645 . ?
Ba5 Te16 Ba6 82.194(18) . . ?
Ba5 Te16 Ba6 171.20(2) 3_655 . ?
Ba4 Te16 Ba6 89.106(18) 2_645 . ?
Si2 Te17 Sb4 88.23(5) . . ?
Si2 Te17 Ba6 87.43(6) . . ?
Sb4 Te17 Ba6 94.61(2) . . ?
Si2 Te17 Ba5 86.94(6) . 2_655 ?
Sb4 Te17 Ba5 106.76(2) . 2_655 ?
Ba6 Te17 Ba5 157.70(2) . 2_655 ?
Sb4 Te18 Ba6 98.29(2) . . ?
Sb4 Te18 Ba6 96.36(2) . 4_565 ?
Ba6 Te18 Ba6 165.11(2) . 4_565 ?
Sb4 Te18 Ba7 89.50(2) . . ?
Ba6 Te18 Ba7 95.099(17) . . ?
Ba6 Te18 Ba7 87.692(17) 4_565 . ?
Sb4 Te18 Ba5 102.05(2) . . ?
Ba6 Te18 Ba5 80.562(16) . . ?
Ba6 Te18 Ba5 93.774(17) 4_565 . ?
Ba7 Te18 Ba5 168.10(2) . . ?
Te2 Te19 Te2 180.0(4) 4_565 2_545 ?
Te2 Te19 Te1 18.83(19) 4_565 4_565 ?
Te2 Te19 Te1 161.17(19) 2_545 4_565 ?
Te2 Te19 Te1 161.17(19) 4_565 2_545 ?
Te2 Te19 Te1 18.83(19) 2_545 2_545 ?
Te1 Te19 Te1 180.00(4) 4_565 2_545 ?
Te2 Te19 Ba2 116.83(13) 4_565 1_545 ?
Te2 Te19 Ba2 63.17(13) 2_545 1_545 ?
Te1 Te19 Ba2 112.020(16) 4_565 1_545 ?
Te1 Te19 Ba2 67.980(16) 2_545 1_545 ?
Te2 Te19 Ba2 63.17(13) 4_565 3_565 ?
Te2 Te19 Ba2 116.83(13) 2_545 3_565 ?
Te1 Te19 Ba2 67.980(16) 4_565 3_565 ?
Te1 Te19 Ba2 112.020(16) 2_545 3_565 ?
Ba2 Te19 Ba2 180.000(18) 1_545 3_565 ?
Te2 Te19 Ba1 86.65(19) 4_565 3 ?
Te2 Te19 Ba1 93.35(19) 2_545 3 ?
Te1 Te19 Ba1 67.872(19) 4_565 3 ?
Te1 Te19 Ba1 112.128(19) 2_545 3 ?
Ba2 Te19 Ba1 85.792(15) 1_545 3 ?
Ba2 Te19 Ba1 94.208(15) 3_565 3 ?
Te2 Te19 Ba1 93.35(19) 4_565 . ?
Te2 Te19 Ba1 86.65(19) 2_545 . ?
Te1 Te19 Ba1 112.129(19) 4_565 . ?
Te1 Te19 Ba1 67.871(19) 2_545 . ?
Ba2 Te19 Ba1 94.208(15) 1_545 . ?
Ba2 Te19 Ba1 85.792(15) 3_565 . ?
Ba1 Te19 Ba1 180.0 3 . ?

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
Sb1 Te1 Te2 Te19 -121.8(3) 2_545 . . 2 ?
Sb2 Te1 Te2 Te19 98.65(15) . . . 2 ?
Ba1 Te1 Te2 Te19 -165.5(3) . . . 2 ?
Ba2 Te1 Te2 Te19 -68.11(19) 2_545 . . 2 ?
Ba1 Te1 Te2 Te19 -5.2(5) 2 . . 2 ?
Sb1 Te1 Te2 Te3 -1.4(19) 2_545 . . . ?
Sb2 Te1 Te2 Te3 -141.0(16) . . . . ?
Te19 Te1 Te2 Te3 120.3(16) 2 . . . ?
Ba1 Te1 Te2 Te3 -45.2(15) . . . . ?
Ba2 Te1 Te2 Te3 52.2(15) 2_545 . . . ?
Ba1 Te1 Te2 Te3 115.1(15) 2 . . . ?
Sb1 Te1 Te2 Sb2 139.6(3) 2_545 . . . ?
Te19 Te1 Te2 Sb2 -98.65(15) 2 . . . ?
Ba1 Te1 Te2 Sb2 95.84(18) . . . . ?
Ba2 Te1 Te2 Sb2 -166.8(2) 2_545 . . . ?
Ba1 Te1 Te2 Sb2 -103.9(3) 2 . . . ?
Sb1 Te1 Te2 Ba1 43.7(5) 2_545 . . . ?
Sb2 Te1 Te2 Ba1 -95.84(18) . . . . ?
Te19 Te1 Te2 Ba1 165.5(3) 2 . . . ?
Ba2 Te1 Te2 Ba1 97.4(3) 2_545 . . . ?
Ba1 Te1 Te2 Ba1 160.30(19) 2 . . . ?
Sb1 Te1 Te2 Ba2 -53.6(5) 2_545 . . 2_545 ?
Sb2 Te1 Te2 Ba2 166.8(2) . . . 2_545 ?
Te19 Te1 Te2 Ba2 68.11(19) 2 . . 2_545 ?
Ba1 Te1 Te2 Ba2 -97.4(3) . . . 2_545 ?
Ba1 Te1 Te2 Ba2 62.9(5) 2 . . 2_545 ?

_refine_diff_density_max         4.828
_refine_diff_density_min         -4.319
_refine_diff_density_rms         0.311


