# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_exp_9144
_database_code_depnum_ccdc_archive 'CCDC 2112888'
loop_
_audit_author_name
_audit_author_address
'mengran sun'
;University of Chinese Academy of Sciences 
China
;
_audit_update_record             
;
2021-09-29 deposited with the CCDC.	2021-11-17 downloaded from the CCDC.
;
_audit_creation_date             2021-09-29
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        Ba3Ge2O4Te3
_chemical_formula_moiety         'Ba3 Ge2 O4 Te3'
_chemical_formula_sum            'Ba3 Ge2 O4 Te3'
_chemical_formula_weight         1003.98
_chemical_absolute_configuration ?
_chemical_melting_point          1018
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'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'

_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.
;
_space_group_crystal_system      trigonal
_space_group_IT_number           160
_space_group_name_H-M_alt        'R 3 m'
_space_group_name_Hall           'R 3 -2"'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'-y+2/3, -x+1/3, z+1/3'
'-x+y+2/3, y+1/3, z+1/3'
'x+2/3, x-y+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-y+1/3, -x+2/3, z+2/3'
'-x+y+1/3, y+2/3, z+2/3'
'x+1/3, x-y+2/3, z+2/3'

_cell_length_a                   10.9518(4)
_cell_length_b                   10.9518(4)
_cell_length_c                   8.9740(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     932.15(7)
_cell_formula_units_Z            3.00006
_cell_measurement_reflns_used    3448
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      26.2960
_cell_measurement_theta_min      3.0960
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    21.022
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    5.366
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1260
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0391
_diffrn_reflns_av_unetI/netI     0.0204
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            3989
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.328
_diffrn_reflns_theta_min         3.125
_diffrn_ambient_temperature      297.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.976
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                493
_reflns_number_total             493
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.836
_refine_diff_density_min         -1.804
_refine_diff_density_rms         0.214
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.06(9)
_refine_ls_extinction_coef       0.0044(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     33
_refine_ls_number_reflns         493
_refine_ls_number_restraints     13
_refine_ls_R_factor_all          0.0256
_refine_ls_R_factor_gt           0.0256
_refine_ls_restrained_S_all      1.096
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0463P)²+14.2170P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0643
_refine_ls_wR_factor_ref         0.0643
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.94(9)
 0.06(9)
2. Uiso/Uaniso restraints and constraints
Uanis(O1) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.02
Uanis(O2) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3. Others
 Fixed Sof: O2(0.16667)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.47554(6) 0.52446(6) 0.39915(10) 0.0134(4) Uani 1 2 d S T P . .
Te1 Te 0.53959(7) 0.46041(7) 0.77531(14) 0.0162(4) Uani 1 2 d S T P . .
Ge1 Ge 0.6667 0.3333 0.2898(4) 0.0146(8) Uani 1 6 d S T P . .
Ge2 Ge 0.6667 0.3333 0.6785(4) 0.0147(7) Uani 1 6 d S T P . .
O1 O 0.5818(6) 0.4182(6) 0.2211(14) 0.014(2) Uani 1 2 d S TU P . .
O2 O 0.644(2) 0.356(2) 0.481(5) 0.028(11) Uani 0.3333 2 d S TU 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 Ba1 4.4260(4) 9_565 ?
Ba1 Te1 3.5876(15) . ?
Ba1 Te1 3.7967(8) 15_554 ?
Ba1 Te1 3.6581(12) 8_554 ?
Ba1 Te1 3.6581(12) 9_564 ?
Ba1 Te1 3.7967(8) 14_654 ?
Ba1 Ge1 3.7560(13) . ?
Ba1 Ge1 3.364(2) 7_455 ?
Ba1 O1 2.733(7) 9_565 ?
Ba1 O1 2.733(7) 8 ?
Ba1 O1 2.572(12) . ?
Ba1 O2 3.27(4) . ?
Te1 Ba1 3.7967(8) 9_565 ?
Te1 Ba1 3.6581(12) 15 ?
Te1 Ba1 3.6581(12) 14_655 ?
Te1 Ba1 3.7967(8) 8 ?
Te1 Ge2 2.5624(18) . ?
Ge1 Ba1 3.364(2) 15_554 ?
Ge1 Ba1 3.7560(13) 2_655 ?
Ge1 Ba1 3.364(2) 14_654 ?
Ge1 Ba1 3.364(2) 13_544 ?
Ge1 Ba1 3.7560(13) 3_665 ?
Ge1 O1 1.724(12) . ?
Ge1 O1 1.724(12) 3_665 ?
Ge1 O1 1.724(12) 2_655 ?
Ge1 O2 1.77(5) . ?
Ge1 O2 1.77(5) 3_665 ?
Ge1 O2 1.77(5) 2_655 ?
Ge2 Te1 2.5624(18) 3_665 ?
Ge2 Te1 2.5624(18) 2_655 ?
Ge2 O2 1.83(5) . ?
Ge2 O2 1.83(5) 3_665 ?
Ge2 O2 1.83(5) 2_655 ?
O1 Ba1 2.733(7) 14_654 ?
O1 Ba1 2.733(7) 15_554 ?
O2 O2 0.75(7) 2_655 ?
O2 O2 0.75(7) 3_665 ?

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
Te1 Ba1 Ba1 89.73(2) 9_564 9_565 ?
Te1 Ba1 Ba1 52.15(2) 14_654 9_565 ?
Te1 Ba1 Ba1 55.373(11) . 9_565 ?
Te1 Ba1 Ba1 143.61(4) 8_554 9_565 ?
Te1 Ba1 Ba1 130.74(2) 15_554 9_565 ?
Te1 Ba1 Te1 143.97(3) . 9_564 ?
Te1 Ba1 Te1 126.36(4) 14_654 15_554 ?
Te1 Ba1 Te1 139.53(4) 8_554 14_654 ?
Te1 Ba1 Te1 69.60(5) 8_554 9_564 ?
Te1 Ba1 Te1 143.97(3) . 8_554 ?
Te1 Ba1 Te1 75.060(13) 8_554 15_554 ?
Te1 Ba1 Te1 139.53(4) 9_564 15_554 ?
Te1 Ba1 Te1 75.87(2) . 14_654 ?
Te1 Ba1 Te1 75.87(2) . 15_554 ?
Te1 Ba1 Te1 75.060(13) 9_564 14_654 ?
Te1 Ba1 Ge1 101.98(5) 8_554 . ?
Te1 Ba1 Ge1 85.36(7) . . ?
Te1 Ba1 Ge1 101.98(5) 9_564 . ?
Ge1 Ba1 Ba1 111.69(5) . 9_565 ?
Ge1 Ba1 Ba1 55.66(3) 7_455 9_565 ?
Ge1 Ba1 Te1 106.99(3) 7_455 14_654 ?
Ge1 Ba1 Te1 73.11(5) 7_455 . ?
Ge1 Ba1 Te1 95.66(5) 7_455 8_554 ?
Ge1 Ba1 Te1 106.99(3) 7_455 15_554 ?
Ge1 Ba1 Te1 66.55(3) . 15_554 ?
Ge1 Ba1 Te1 95.66(5) 7_455 9_564 ?
Ge1 Ba1 Te1 66.55(3) . 14_654 ?
Ge1 Ba1 Ge1 158.46(11) 7_455 . ?
O1 Ba1 Ba1 32.3(2) 9_565 9_565 ?
O1 Ba1 Ba1 125.21(14) . 9_565 ?
O1 Ba1 Ba1 83.0(2) 8 9_565 ?
O1 Ba1 Te1 108.6(3) . . ?
O1 Ba1 Te1 77.9(2) 9_565 9_564 ?
O1 Ba1 Te1 111.8(2) 9_565 8_554 ?
O1 Ba1 Te1 75.8(2) 9_565 . ?
O1 Ba1 Te1 78.3(2) 8 15_554 ?
O1 Ba1 Te1 78.3(2) 9_565 14_654 ?
O1 Ba1 Te1 73.64(10) . 14_654 ?
O1 Ba1 Te1 77.9(2) 8 8_554 ?
O1 Ba1 Te1 135.1(2) 8 14_654 ?
O1 Ba1 Te1 75.8(2) 8 . ?
O1 Ba1 Te1 82.9(2) . 9_564 ?
O1 Ba1 Te1 73.64(10) . 15_554 ?
O1 Ba1 Te1 111.8(2) 8 9_564 ?
O1 Ba1 Te1 135.1(2) 9_565 15_554 ?
O1 Ba1 Te1 82.9(2) . 8_554 ?
O1 Ba1 Ge1 23.3(3) . . ?
O1 Ba1 Ge1 178.3(3) . 7_455 ?
O1 Ba1 Ge1 30.7(3) 8 7_455 ?
O1 Ba1 Ge1 143.3(2) 9_565 . ?
O1 Ba1 Ge1 30.7(3) 9_565 7_455 ?
O1 Ba1 Ge1 143.3(2) 8 . ?
O1 Ba1 O1 61.4(5) 9_565 8 ?
O1 Ba1 O1 149.3(3) . 9_565 ?
O1 Ba1 O1 149.3(3) . 8 ?
O1 Ba1 O2 51.3(8) . . ?
O1 Ba1 O2 124.2(7) 9_565 . ?
O1 Ba1 O2 124.2(7) 8 . ?
O2 Ba1 Ba1 92.5(6) . 9_565 ?
O2 Ba1 Te1 123.8(6) . 9_564 ?
O2 Ba1 Te1 63.18(2) . 15_554 ?
O2 Ba1 Te1 57.3(8) . . ?
O2 Ba1 Te1 123.8(6) . 8_554 ?
O2 Ba1 Te1 63.18(2) . 14_654 ?
O2 Ba1 Ge1 130.4(8) . 7_455 ?
O2 Ba1 Ge1 28.0(8) . . ?
Ba1 Te1 Ba1 72.815(13) 14_655 9_565 ?
Ba1 Te1 Ba1 73.59(2) . 9_565 ?
Ba1 Te1 Ba1 72.815(13) 15 8 ?
Ba1 Te1 Ba1 73.59(2) . 8 ?
Ba1 Te1 Ba1 139.54(4) 15 9_565 ?
Ba1 Te1 Ba1 139.54(4) 14_655 8 ?
Ba1 Te1 Ba1 111.58(4) 8 9_565 ?
Ba1 Te1 Ba1 140.25(2) . 14_655 ?
Ba1 Te1 Ba1 79.38(4) 14_655 15 ?
Ba1 Te1 Ba1 140.25(2) . 15 ?
Ge2 Te1 Ba1 88.20(7) . 14_655 ?
Ge2 Te1 Ba1 89.97(9) . . ?
Ge2 Te1 Ba1 88.20(7) . 15 ?
Ge2 Te1 Ba1 119.08(4) . 8 ?
Ge2 Te1 Ba1 119.08(4) . 9_565 ?
Ba1 Ge1 Ba1 87.97(8) 13_544 15_554 ?
Ba1 Ge1 Ba1 76.651(13) 13_544 2_655 ?
Ba1 Ge1 Ba1 158.46(11) 13_544 . ?
Ba1 Ge1 Ba1 87.97(8) 13_544 14_654 ?
Ba1 Ge1 Ba1 158.46(11) 14_654 2_655 ?
Ba1 Ge1 Ba1 87.97(8) 15_554 14_654 ?
Ba1 Ge1 Ba1 76.651(13) 14_654 3_665 ?
Ba1 Ge1 Ba1 76.652(13) 14_654 . ?
Ba1 Ge1 Ba1 76.651(13) 15_554 2_655 ?
Ba1 Ge1 Ba1 76.652(13) 15_554 . ?
Ba1 Ge1 Ba1 113.42(5) 3_665 2_655 ?
Ba1 Ge1 Ba1 76.651(13) 13_544 3_665 ?
Ba1 Ge1 Ba1 113.42(5) 2_655 . ?
Ba1 Ge1 Ba1 158.46(11) 15_554 3_665 ?
Ba1 Ge1 Ba1 113.42(5) 3_665 . ?
O1 Ge1 Ba1 122.4(5) 2_655 14_654 ?
O1 Ge1 Ba1 122.97(4) 2_655 3_665 ?
O1 Ge1 Ba1 122.4(5) 3_665 15_554 ?
O1 Ge1 Ba1 54.0(2) 3_665 14_654 ?
O1 Ge1 Ba1 122.97(4) 3_665 . ?
O1 Ge1 Ba1 36.1(4) 2_655 2_655 ?
O1 Ge1 Ba1 54.0(2) 3_665 13_544 ?
O1 Ge1 Ba1 122.97(4) 3_665 2_655 ?
O1 Ge1 Ba1 122.97(4) 2_655 . ?
O1 Ge1 Ba1 122.97(4) . 2_655 ?
O1 Ge1 Ba1 36.1(4) . . ?
O1 Ge1 Ba1 54.0(2) . 14_654 ?
O1 Ge1 Ba1 54.0(2) . 15_554 ?
O1 Ge1 Ba1 122.4(5) . 13_544 ?
O1 Ge1 Ba1 54.0(2) 2_655 13_544 ?
O1 Ge1 Ba1 36.1(4) 3_665 3_665 ?
O1 Ge1 Ba1 122.97(4) . 3_665 ?
O1 Ge1 Ba1 54.0(2) 2_655 15_554 ?
O1 Ge1 O1 108.0(5) 2_655 3_665 ?
O1 Ge1 O1 108.0(5) 2_655 . ?
O1 Ge1 O1 108.0(5) 3_665 . ?
O1 Ge1 O2 117.5(7) 2_655 . ?
O1 Ge1 O2 96.7(15) 3_665 3_665 ?
O1 Ge1 O2 96.7(15) 2_655 2_655 ?
O1 Ge1 O2 117.5(7) 3_665 . ?
O1 Ge1 O2 117.5(7) . 3_665 ?
O1 Ge1 O2 117.5(7) 3_665 2_655 ?
O1 Ge1 O2 96.7(15) . . ?
O1 Ge1 O2 117.5(7) 2_655 3_665 ?
O1 Ge1 O2 117.5(7) . 2_655 ?
O2 Ge1 Ba1 118.7(9) . 14_654 ?
O2 Ge1 Ba1 118.7(9) 3_665 14_654 ?
O2 Ge1 Ba1 82.3(8) 3_665 . ?
O2 Ge1 Ba1 118.7(9) 3_665 13_544 ?
O2 Ge1 Ba1 118.7(9) 2_655 15_554 ?
O2 Ge1 Ba1 118.7(9) 2_655 13_544 ?
O2 Ge1 Ba1 82.3(8) . 3_665 ?
O2 Ge1 Ba1 82.3(8) 3_665 2_655 ?
O2 Ge1 Ba1 140.9(14) 3_665 15_554 ?
O2 Ge1 Ba1 60.6(14) 2_655 2_655 ?
O2 Ge1 Ba1 118.7(9) . 15_554 ?
O2 Ge1 Ba1 82.3(8) . 2_655 ?
O2 Ge1 Ba1 82.3(8) 2_655 . ?
O2 Ge1 Ba1 140.9(14) . 13_544 ?
O2 Ge1 Ba1 140.9(14) 2_655 14_654 ?
O2 Ge1 Ba1 60.6(14) 3_665 3_665 ?
O2 Ge1 Ba1 82.3(8) 2_655 3_665 ?
O2 Ge1 Ba1 60.6(14) . . ?
O2 Ge1 O2 25(2) 3_665 . ?
O2 Ge1 O2 25(2) 3_665 2_655 ?
O2 Ge1 O2 25(2) 2_655 . ?
Te1 Ge2 Te1 109.12(8) 2_655 . ?
Te1 Ge2 Te1 109.12(8) 3_665 . ?
Te1 Ge2 Te1 109.12(8) 3_665 2_655 ?
O2 Ge2 Te1 116.2(6) . 3_665 ?
O2 Ge2 Te1 96.1(13) . . ?
O2 Ge2 Te1 116.2(6) 2_655 . ?
O2 Ge2 Te1 116.2(6) 3_665 . ?
O2 Ge2 Te1 96.1(14) 2_655 2_655 ?
O2 Ge2 Te1 116.2(6) 2_655 3_665 ?
O2 Ge2 Te1 116.2(6) . 2_655 ?
O2 Ge2 Te1 116.2(6) 3_665 2_655 ?
O2 Ge2 Te1 96.1(14) 3_665 3_665 ?
O2 Ge2 O2 24(2) 2_655 3_665 ?
O2 Ge2 O2 24(2) 2_655 . ?
O2 Ge2 O2 24(2) 3_665 . ?
Ba1 O1 Ba1 117.5(5) 15_554 14_654 ?
Ba1 O1 Ba1 113.1(3) . 14_654 ?
Ba1 O1 Ba1 113.1(3) . 15_554 ?
Ge1 O1 Ba1 95.3(3) . 14_654 ?
Ge1 O1 Ba1 120.7(6) . . ?
Ge1 O1 Ba1 95.3(3) . 15_554 ?
Ge1 O2 Ba1 91.3(16) . . ?
Ge1 O2 Ge2 152(3) . . ?
Ge2 O2 Ba1 116.6(18) . . ?
O2 O2 Ba1 147.6(3) 2_655 . ?
O2 O2 Ba1 147.6(3) 3_665 . ?
O2 O2 Ge1 77.7(12) 2_655 . ?
O2 O2 Ge1 77.7(12) 3_665 . ?
O2 O2 Ge2 78.1(11) 3_665 . ?
O2 O2 Ge2 78.2(12) 2_655 . ?
O2 O2 O2 60.00(2) 2_655 3_665 ?

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
Ba1 Ge1 O1 Ba1 180.000(1) 13_544 . . . ?
Ba1 Ge1 O1 Ba1 -35.7(6) 2_655 . . 15_554 ?
Ba1 Ge1 O1 Ba1 -154.05(14) 2_655 . . 14_654 ?
Ba1 Ge1 O1 Ba1 120.8(3) 15_554 . . . ?
Ba1 Ge1 O1 Ba1 -118.3(5) 15_554 . . 14_654 ?
Ba1 Ge1 O1 Ba1 -120.8(3) 14_654 . . . ?
Ba1 Ge1 O1 Ba1 154.05(14) 3_665 . . 15_554 ?
Ba1 Ge1 O1 Ba1 -85.1(3) 3_665 . . . ?
Ba1 Ge1 O1 Ba1 -59.2(3) 13_544 . . 14_654 ?
Ba1 Ge1 O1 Ba1 85.1(3) 2_655 . . . ?
Ba1 Ge1 O1 Ba1 35.7(6) 3_665 . . 14_654 ?
Ba1 Ge1 O1 Ba1 59.2(3) 13_544 . . 15_554 ?
Ba1 Ge1 O1 Ba1 120.8(3) . . . 14_654 ?
Ba1 Ge1 O1 Ba1 118.3(5) 14_654 . . 15_554 ?
Ba1 Ge1 O1 Ba1 -120.8(3) . . . 15_554 ?
Ba1 Ge1 O2 Ba1 52.4(6) 14_654 . . . ?
Ba1 Ge1 O2 Ba1 180.000(8) 13_544 . . . ?
Ba1 Ge1 O2 Ba1 -52.4(6) 15_554 . . . ?
Ba1 Ge1 O2 Ba1 -122.47(16) 2_655 . . . ?
Ba1 Ge1 O2 Ba1 122.47(16) 3_665 . . . ?
Ba1 Ge1 O2 Ge2 0.00(2) 13_544 . . . ?
Ba1 Ge1 O2 Ge2 180.000(18) . . . . ?
Ba1 Ge1 O2 Ge2 57.53(15) 2_655 . . . ?
Ba1 Ge1 O2 Ge2 -127.6(6) 14_654 . . . ?
Ba1 Ge1 O2 Ge2 -57.53(17) 3_665 . . . ?
Ba1 Ge1 O2 Ge2 127.6(6) 15_554 . . . ?
Ba1 Ge1 O2 O2 149.22(17) . . . 2_655 ?
Ba1 Ge1 O2 O2 -149.22(18) . . . 3_665 ?
Ba1 Ge1 O2 O2 -30.78(17) 13_544 . . 2_655 ?
Ba1 Ge1 O2 O2 26.7(3) 2_655 . . 2_655 ?
Ba1 Ge1 O2 O2 88.30(2) 2_655 . . 3_665 ?
Ba1 Ge1 O2 O2 158.4(8) 15_554 . . 3_665 ?
Ba1 Ge1 O2 O2 96.8(4) 15_554 . . 2_655 ?
Ba1 Ge1 O2 O2 -96.9(4) 14_654 . . 3_665 ?
Ba1 Ge1 O2 O2 -26.8(3) 3_665 . . 3_665 ?
Ba1 Ge1 O2 O2 -158.4(8) 14_654 . . 2_655 ?
Ba1 Ge1 O2 O2 -88.31(2) 3_665 . . 2_655 ?
Ba1 Ge1 O2 O2 30.78(18) 13_544 . . 3_665 ?
Te1 Ge2 O2 Ba1 0.000(4) . . . . ?
Te1 Ge2 O2 Ba1 -114.8(6) 3_665 . . . ?
Te1 Ge2 O2 Ba1 114.8(6) 2_655 . . . ?
Te1 Ge2 O2 Ge1 65.2(6) 3_665 . . . ?
Te1 Ge2 O2 Ge1 -65.2(6) 2_655 . . . ?
Te1 Ge2 O2 Ge1 180.00(2) . . . . ?
Te1 Ge2 O2 O2 149.28(16) . . . 3_665 ?
Te1 Ge2 O2 O2 -149.27(16) . . . 2_655 ?
Te1 Ge2 O2 O2 -34.5(4) 2_655 . . 2_655 ?
Te1 Ge2 O2 O2 34.5(4) 3_665 . . 3_665 ?
Te1 Ge2 O2 O2 -95.9(8) 2_655 . . 3_665 ?
Te1 Ge2 O2 O2 95.9(8) 3_665 . . 2_655 ?
O1 Ge1 O1 Ba1 117.4(3) 3_665 . . 15_554 ?
O1 Ge1 O1 Ba1 -0.9(8) 3_665 . . 14_654 ?
O1 Ge1 O1 Ba1 -117.4(3) 2_655 . . 14_654 ?
O1 Ge1 O1 Ba1 0.9(8) 2_655 . . 15_554 ?
O1 Ge1 O1 Ba1 -121.8(5) 3_665 . . . ?
O1 Ge1 O1 Ba1 121.8(5) 2_655 . . . ?
O1 Ge1 O2 Ba1 114.3(7) 3_665 . . . ?
O1 Ge1 O2 Ba1 -114.3(7) 2_655 . . . ?
O1 Ge1 O2 Ba1 0.000(1) . . . . ?
O1 Ge1 O2 Ge2 65.7(7) 2_655 . . . ?
O1 Ge1 O2 Ge2 180.000(12) . . . . ?
O1 Ge1 O2 Ge2 -65.7(7) 3_665 . . . ?
O1 Ge1 O2 O2 -96.5(8) 3_665 . . 2_655 ?
O1 Ge1 O2 O2 34.9(5) 2_655 . . 2_655 ?
O1 Ge1 O2 O2 149.22(17) . . . 2_655 ?
O1 Ge1 O2 O2 -149.23(17) . . . 3_665 ?
O1 Ge1 O2 O2 96.5(8) 2_655 . . 3_665 ?
O1 Ge1 O2 O2 -34.9(5) 3_665 . . 3_665 ?
O2 Ge1 O1 Ba1 -120.8(3) . . . 15_554 ?
O2 Ge1 O1 Ba1 107.0(15) 3_665 . . 14_654 ?
O2 Ge1 O1 Ba1 -107.0(15) 2_655 . . 15_554 ?
O2 Ge1 O1 Ba1 -134.7(14) 3_665 . . 15_554 ?
O2 Ge1 O1 Ba1 -13.9(14) 3_665 . . . ?
O2 Ge1 O1 Ba1 0.000(1) . . . . ?
O2 Ge1 O1 Ba1 13.9(14) 2_655 . . . ?
O2 Ge1 O1 Ba1 134.7(14) 2_655 . . 14_654 ?
O2 Ge1 O1 Ba1 120.8(3) . . . 14_654 ?
O2 Ge1 O2 Ba1 -149.22(15) 2_655 . . . ?
O2 Ge1 O2 Ba1 149.23(16) 3_665 . . . ?
O2 Ge1 O2 Ge2 -30.78(16) 3_665 . . . ?
O2 Ge1 O2 Ge2 30.78(15) 2_655 . . . ?
O2 Ge1 O2 O2 61.6(3) 2_655 . . 3_665 ?
O2 Ge1 O2 O2 -61.6(3) 3_665 . . 2_655 ?
O2 Ge2 O2 Ba1 -149.28(15) 3_665 . . . ?
O2 Ge2 O2 Ba1 149.27(14) 2_655 . . . ?
O2 Ge2 O2 Ge1 30.72(14) 3_665 . . . ?
O2 Ge2 O2 Ge1 -30.73(15) 2_655 . . . ?
O2 Ge2 O2 O2 -61.4(3) 2_655 . . 3_665 ?
O2 Ge2 O2 O2 61.4(3) 3_665 . . 2_655 ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.94(9)
2 0.06(9)

_exptl_crystal_recrystallization_method 'From the Melt'
