#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:24:52 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179109 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/71/4307112.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4307112
loop_
_publ_author_name
'Yanjie Cui'
'Abdeljalil Assoud'
'Jianxiao Xu'
'Holger Kleinke'
_publ_section_title
;
Structures and Physical Properties of New Semiconducting Gold and Copper
Polytellurides: Ba7Au2Te14 and Ba6.76Cu2.42Te14
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1215
_journal_page_last               1221
_journal_paper_doi               10.1021/ic061616d
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'Au2 Ba7 Te14'
_chemical_formula_weight         3141.71
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           193
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   14.2593(7)
_cell_length_b                   14.2593(7)
_cell_length_c                   9.2726(8)
_cell_measurement_temperature    298(2)
_cell_volume                     1632.78(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0493
_diffrn_reflns_av_sigmaI/netI    0.0278
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            11843
_diffrn_reflns_theta_full        34.99
_diffrn_reflns_theta_max         34.99
_diffrn_reflns_theta_min         1.65
_exptl_absorpt_coefficient_mu    29.494
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.533517
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS; SAINT'
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    6.390
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             2556
_exptl_crystal_size_max          0.0080
_exptl_crystal_size_mid          0.0080
_exptl_crystal_size_min          0.0020
_refine_diff_density_max         2.258
_refine_diff_density_min         -2.025
_refine_diff_density_rms         0.384
_refine_ls_extinction_coef       0.00039(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.207
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     31
_refine_ls_number_reflns         1314
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.207
_refine_ls_R_factor_all          0.0403
_refine_ls_R_factor_gt           0.0369
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0208P)²+15.4321P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0702
_refine_ls_wR_factor_ref         0.0715
_reflns_number_gt                1227
_reflns_number_total             1314
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic061616dsi20060827_041614.cif
_cod_data_source_block           Ba7Au2Te14
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4307112
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'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'-y, -x, -z'
'-x+y, y, -z'
'x, x-y, -z'
'-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'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'y, x, z'
'x-y, -y, z'
'-x, -x+y, z'
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 0.45267(3) 0.21083(3) 0.2500 0.01216(10) Uani 1 2 d S . .
Ba2 Ba 0.0000 0.0000 0.5000 0.0348(3) Uani 1 12 d S . .
Te1 Te 0.18356(5) 0.0000 0.2500 0.02083(17) Uani 1 4 d S . .
Te2 Te 0.33229(4) 0.33229(4) 0.02535(6) 0.01525(12) Uani 1 2 d S . .
Te3 Te 0.47277(5) 0.47277(5) 0.2500 0.01393(14) Uani 1 4 d S . .
Te4 Te 0.6667 0.3333 0.0000 0.01241(15) Uani 1 6 d S . .
Au1 Au 0.19410(5) 0.19410(5) 0.2500 0.0241(2) Uani 0.665(3) 4 d SP . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Te Te -0.5308 1.6751 '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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Te1 Ba1 Te4 137.103(7) . 16_556 ?
Te1 Ba1 Te4 137.103(7) . . ?
Te4 Ba1 Te4 82.318(10) 16_556 . ?
Te1 Ba1 Au1 44.807(14) . . ?
Te4 Ba1 Au1 129.953(10) 16_556 . ?
Te4 Ba1 Au1 129.953(10) . . ?
Te1 Ba1 Te3 112.075(17) . . ?
Te4 Ba1 Te3 83.434(11) 16_556 . ?
Te4 Ba1 Te3 83.434(11) . . ?
Au1 Ba1 Te3 67.268(16) . . ?
Te1 Ba1 Te2 80.400(14) . . ?
Te4 Ba1 Te2 129.656(15) 16_556 . ?
Te4 Ba1 Te2 83.404(10) . . ?
Au1 Ba1 Te2 46.823(11) . . ?
Te3 Ba1 Te2 47.038(11) . . ?
Te1 Ba1 Te2 80.400(14) . 16_556 ?
Te4 Ba1 Te2 83.404(10) 16_556 16_556 ?
Te4 Ba1 Te2 129.656(15) . 16_556 ?
Au1 Ba1 Te2 46.823(11) . 16_556 ?
Te3 Ba1 Te2 47.038(11) . 16_556 ?
Te2 Ba1 Te2 69.791(17) . 16_556 ?
Te1 Ba1 Te2 55.270(11) . 14 ?
Te4 Ba1 Te2 143.351(15) 16_556 14 ?
Te4 Ba1 Te2 83.237(9) . 14 ?
Au1 Ba1 Te2 84.286(13) . 14 ?
Te3 Ba1 Te2 127.930(11) . 14 ?
Te2 Ba1 Te2 81.504(13) . 14 ?
Te2 Ba1 Te2 130.693(19) 16_556 14 ?
Te1 Ba1 Te2 55.270(11) . 5 ?
Te4 Ba1 Te2 83.237(9) 16_556 5 ?
Te4 Ba1 Te2 143.351(15) . 5 ?
Au1 Ba1 Te2 84.286(13) . 5 ?
Te3 Ba1 Te2 127.930(11) . 5 ?
Te2 Ba1 Te2 130.693(19) . 5 ?
Te2 Ba1 Te2 81.504(13) 16_556 5 ?
Te2 Ba1 Te2 88.690(16) 14 5 ?
Te1 Ba1 Te3 86.466(15) . 2_655 ?
Te4 Ba1 Te3 82.635(10) 16_556 2_655 ?
Te4 Ba1 Te3 82.635(10) . 2_655 ?
Au1 Ba1 Te3 131.273(18) . 2_655 ?
Te3 Ba1 Te3 161.460(13) . 2_655 ?
Te2 Ba1 Te3 142.303(10) . 2_655 ?
Te2 Ba1 Te3 142.303(10) 16_556 2_655 ?
Te2 Ba1 Te3 62.188(11) 14 2_655 ?
Te2 Ba1 Te3 62.188(11) 5 2_655 ?
Te1 Ba1 Ba1 163.338(19) . 3_665 ?
Te4 Ba1 Ba1 49.306(4) 16_556 3_665 ?
Te4 Ba1 Ba1 49.306(4) . 3_665 ?
Au1 Ba1 Ba1 118.531(19) . 3_665 ?
Te3 Ba1 Ba1 51.264(14) . 3_665 ?
Te2 Ba1 Ba1 85.958(15) . 3_665 ?
Te2 Ba1 Ba1 85.958(15) 16_556 3_665 ?
Te2 Ba1 Ba1 132.046(9) 14 3_665 ?
Te2 Ba1 Ba1 132.046(9) 5 3_665 ?
Te3 Ba1 Ba1 110.196(13) 2_655 3_665 ?
Te1 Ba1 Ba1 136.662(19) . 2_655 ?
Te4 Ba1 Ba1 49.306(4) 16_556 2_655 ?
Te4 Ba1 Ba1 49.306(4) . 2_655 ?
Au1 Ba1 Ba1 178.531(19) . 2_655 ?
Te3 Ba1 Ba1 111.264(14) . 2_655 ?
Te2 Ba1 Ba1 132.256(11) . 2_655 ?
Te2 Ba1 Ba1 132.256(11) 16_556 2_655 ?
Te2 Ba1 Ba1 96.758(14) 14 2_655 ?
Te2 Ba1 Ba1 96.758(14) 5 2_655 ?
Te3 Ba1 Ba1 50.196(13) 2_655 2_655 ?
Ba1 Ba1 Ba1 60.0 3_665 2_655 ?
Te1 Ba2 Te1 180.0 15_556 3 ?
Te1 Ba2 Te1 80.829(13) 15_556 14_556 ?
Te1 Ba2 Te1 99.171(13) 3 14_556 ?
Te1 Ba2 Te1 99.171(13) 15_556 2 ?
Te1 Ba2 Te1 80.829(13) 3 2 ?
Te1 Ba2 Te1 180.0 14_556 2 ?
Te1 Ba2 Te1 80.829(13) 15_556 13_556 ?
Te1 Ba2 Te1 99.171(13) 3 13_556 ?
Te1 Ba2 Te1 80.829(13) 14_556 13_556 ?
Te1 Ba2 Te1 99.171(13) 2 13_556 ?
Te1 Ba2 Te1 99.171(13) 15_556 . ?
Te1 Ba2 Te1 80.829(13) 3 . ?
Te1 Ba2 Te1 99.171(13) 14_556 . ?
Te1 Ba2 Te1 80.829(13) 2 . ?
Te1 Ba2 Te1 180.0 13_556 . ?
Te1 Ba2 Au1 135.453(4) 15_556 3 ?
Te1 Ba2 Au1 44.547(4) 3 3 ?
Te1 Ba2 Au1 81.479(12) 14_556 3 ?
Te1 Ba2 Au1 98.521(12) 2 3 ?
Te1 Ba2 Au1 135.453(4) 13_556 3 ?
Te1 Ba2 Au1 44.547(4) . 3 ?
Te1 Ba2 Au1 135.453(4) 15_556 2 ?
Te1 Ba2 Au1 44.547(4) 3 2 ?
Te1 Ba2 Au1 135.453(4) 14_556 2 ?
Te1 Ba2 Au1 44.547(4) 2 2 ?
Te1 Ba2 Au1 81.479(12) 13_556 2 ?
Te1 Ba2 Au1 98.521(12) . 2 ?
Au1 Ba2 Au1 83.197(12) 3 2 ?
Te1 Ba2 Au1 44.547(4) 15_556 15_556 ?
Te1 Ba2 Au1 135.453(4) 3 15_556 ?
Te1 Ba2 Au1 98.521(12) 14_556 15_556 ?
Te1 Ba2 Au1 81.479(12) 2 15_556 ?
Te1 Ba2 Au1 44.547(4) 13_556 15_556 ?
Te1 Ba2 Au1 135.453(4) . 15_556 ?
Au1 Ba2 Au1 180.0 3 15_556 ?
Au1 Ba2 Au1 96.803(12) 2 15_556 ?
Te1 Ba2 Au1 44.547(4) 15_556 14_556 ?
Te1 Ba2 Au1 135.453(4) 3 14_556 ?
Te1 Ba2 Au1 44.547(4) 14_556 14_556 ?
Te1 Ba2 Au1 135.453(4) 2 14_556 ?
Te1 Ba2 Au1 98.521(12) 13_556 14_556 ?
Te1 Ba2 Au1 81.479(12) . 14_556 ?
Au1 Ba2 Au1 96.803(12) 3 14_556 ?
Au1 Ba2 Au1 180.0 2 14_556 ?
Au1 Ba2 Au1 83.197(12) 15_556 14_556 ?
Te1 Ba2 Au1 98.521(12) 15_556 13_556 ?
Te1 Ba2 Au1 81.479(12) 3 13_556 ?
Te1 Ba2 Au1 44.547(4) 14_556 13_556 ?
Te1 Ba2 Au1 135.453(4) 2 13_556 ?
Te1 Ba2 Au1 44.547(4) 13_556 13_556 ?
Te1 Ba2 Au1 135.453(4) . 13_556 ?
Au1 Ba2 Au1 96.803(12) 3 13_556 ?
Au1 Ba2 Au1 96.803(12) 2 13_556 ?
Au1 Ba2 Au1 83.197(12) 15_556 13_556 ?
Au1 Ba2 Au1 83.197(12) 14_556 13_556 ?
Te1 Ba2 Au1 81.479(12) 15_556 . ?
Te1 Ba2 Au1 98.521(12) 3 . ?
Te1 Ba2 Au1 135.453(4) 14_556 . ?
Te1 Ba2 Au1 44.547(4) 2 . ?
Te1 Ba2 Au1 135.453(4) 13_556 . ?
Te1 Ba2 Au1 44.547(4) . . ?
Au1 Ba2 Au1 83.197(12) 3 . ?
Au1 Ba2 Au1 83.197(12) 2 . ?
Au1 Ba2 Au1 96.803(12) 15_556 . ?
Au1 Ba2 Au1 96.803(12) 14_556 . ?
Au1 Ba2 Au1 180.0 13_556 . ?
Au1 Te1 Au1 125.53(4) 3 . ?
Au1 Te1 Ba2 69.966(16) 3 4_554 ?
Au1 Te1 Ba2 69.966(16) . 4_554 ?
Au1 Te1 Ba2 69.966(16) 3 . ?
Au1 Te1 Ba2 69.966(16) . . ?
Ba2 Te1 Ba2 83.060(17) 4_554 . ?
Au1 Te1 Ba1 165.36(3) 3 . ?
Au1 Te1 Ba1 69.112(15) . . ?
Ba2 Te1 Ba1 119.983(5) 4_554 . ?
Ba2 Te1 Ba1 119.983(5) . . ?
Au1 Te1 Ba1 69.112(15) 3 8 ?
Au1 Te1 Ba1 165.36(3) . 8 ?
Ba2 Te1 Ba1 119.983(5) 4_554 8 ?
Ba2 Te1 Ba1 119.983(5) . 8 ?
Ba1 Te1 Ba1 96.24(2) . 8 ?
Au1 Te2 Te3 87.29(2) . . ?
Au1 Te2 Ba1 65.352(11) . . ?
Te3 Te2 Ba1 65.739(11) . . ?
Au1 Te2 Ba1 65.352(11) . 7 ?
Te3 Te2 Ba1 65.739(11) . 7 ?
Ba1 Te2 Ba1 110.208(17) . 7 ?
Au1 Te2 Ba1 123.227(14) . 21 ?
Te3 Te2 Ba1 117.601(14) . 21 ?
Ba1 Te2 Ba1 79.363(7) . 21 ?
Ba1 Te2 Ba1 169.928(15) 7 21 ?
Au1 Te2 Ba1 123.227(14) . 15 ?
Te3 Te2 Ba1 117.601(14) . 15 ?
Ba1 Te2 Ba1 169.928(15) . 15 ?
Ba1 Te2 Ba1 79.363(7) 7 15 ?
Ba1 Te2 Ba1 90.918(16) 21 15 ?
Te2 Te3 Te2 92.24(3) . 16_556 ?
Te2 Te3 Ba1 67.224(12) . . ?
Te2 Te3 Ba1 67.224(12) 16_556 . ?
Te2 Te3 Ba1 67.224(12) . 7 ?
Te2 Te3 Ba1 67.224(12) 16_556 7 ?
Ba1 Te3 Ba1 112.09(2) . 7 ?
Te2 Te3 Ba1 119.117(7) . 3_665 ?
Te2 Te3 Ba1 119.117(7) 16_556 3_665 ?
Ba1 Te3 Ba1 78.540(13) . 3_665 ?
Ba1 Te3 Ba1 169.366(17) 7 3_665 ?
Te2 Te3 Ba1 119.117(7) . 9_665 ?
Te2 Te3 Ba1 119.117(7) 16_556 9_665 ?
Ba1 Te3 Ba1 169.366(17) . 9_665 ?
Ba1 Te3 Ba1 78.540(13) 7 9_665 ?
Ba1 Te3 Ba1 90.83(2) 3_665 9_665 ?
Ba1 Te4 Ba1 82.773(11) 2_655 20_655 ?
Ba1 Te4 Ba1 142.582(14) 2_655 21 ?
Ba1 Te4 Ba1 81.388(8) 20_655 21 ?
Ba1 Te4 Ba1 81.388(8) 2_655 3_665 ?
Ba1 Te4 Ba1 142.582(14) 20_655 3_665 ?
Ba1 Te4 Ba1 129.128(13) 21 3_665 ?
Ba1 Te4 Ba1 81.388(8) 2_655 . ?
Ba1 Te4 Ba1 129.128(13) 20_655 . ?
Ba1 Te4 Ba1 82.773(11) 21 . ?
Ba1 Te4 Ba1 81.388(8) 3_665 . ?
Ba1 Te4 Ba1 129.128(13) 2_655 19_665 ?
Ba1 Te4 Ba1 81.388(8) 20_655 19_665 ?
Ba1 Te4 Ba1 81.388(8) 21 19_665 ?
Ba1 Te4 Ba1 82.773(11) 3_665 19_665 ?
Ba1 Te4 Ba1 142.582(14) . 19_665 ?
Te1 Au1 Te1 114.47(4) 2 . ?
Te1 Au1 Te2 111.834(11) 2 16_556 ?
Te1 Au1 Te2 111.834(11) . 16_556 ?
Te1 Au1 Te2 111.834(11) 2 . ?
Te1 Au1 Te2 111.834(11) . . ?
Te2 Au1 Te2 93.18(3) 16_556 . ?
Te1 Au1 Ba1 179.45(3) 2 . ?
Te1 Au1 Ba1 66.081(16) . . ?
Te2 Au1 Ba1 67.825(12) 16_556 . ?
Te2 Au1 Ba1 67.825(12) . . ?
Te1 Au1 Ba1 66.081(16) 2 7 ?
Te1 Au1 Ba1 179.45(3) . 7 ?
Te2 Au1 Ba1 67.825(12) 16_556 7 ?
Te2 Au1 Ba1 67.825(12) . 7 ?
Ba1 Au1 Ba1 113.37(2) . 7 ?
Te1 Au1 Ba2 65.487(16) 2 4_554 ?
Te1 Au1 Ba2 65.487(16) . 4_554 ?
Te2 Au1 Ba2 173.36(2) 16_556 4_554 ?
Te2 Au1 Ba2 93.460(12) . 4_554 ?
Ba1 Au1 Ba2 114.901(6) . 4_554 ?
Ba1 Au1 Ba2 114.901(6) 7 4_554 ?
Te1 Au1 Ba2 65.487(16) 2 . ?
Te1 Au1 Ba2 65.487(16) . . ?
Te2 Au1 Ba2 93.460(13) 16_556 . ?
Te2 Au1 Ba2 173.36(2) . . ?
Ba1 Au1 Ba2 114.901(6) . . ?
Ba1 Au1 Ba2 114.901(6) 7 . ?
Ba2 Au1 Ba2 79.898(16) 4_554 . ?
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 Te1 3.4967(7) . ?
Ba1 Te4 3.5222(4) 16_556 ?
Ba1 Te4 3.5222(4) . ?
Ba1 Au1 3.5738(6) . ?
Ba1 Te3 3.6004(6) . ?
Ba1 Te2 3.6412(5) . ?
Ba1 Te2 3.6412(5) 16_556 ?
Ba1 Te2 3.6528(5) 14 ?
Ba1 Te2 3.6528(5) 5 ?
Ba1 Te3 3.6557(7) 2_655 ?
Ba1 Ba1 4.5931(8) 3_665 ?
Ba1 Ba1 4.5931(8) 2_655 ?
Ba2 Te1 3.4964(6) 15_556 ?
Ba2 Te1 3.4964(6) 3 ?
Ba2 Te1 3.4964(6) 14_556 ?
Ba2 Te1 3.4964(6) 2 ?
Ba2 Te1 3.4964(6) 13_556 ?
Ba2 Te1 3.4964(6) . ?
Ba2 Au1 3.6102(6) 3 ?
Ba2 Au1 3.6102(6) 2 ?
Ba2 Au1 3.6102(6) 15_556 ?
Ba2 Au1 3.6102(6) 14_556 ?
Ba2 Au1 3.6102(6) 13_556 ?
Ba2 Au1 3.6102(6) . ?
Te1 Au1 2.6957(5) 3 ?
Te1 Au1 2.6957(5) . ?
Te1 Ba2 3.4964(6) 4_554 ?
Te1 Ba1 3.4967(7) 8 ?
Te2 Au1 2.8674(7) . ?
Te2 Te3 2.8900(7) . ?
Te2 Ba1 3.6412(5) 7 ?
Te2 Ba1 3.6528(5) 21 ?
Te2 Ba1 3.6528(5) 15 ?
Te3 Te2 2.8900(7) 16_556 ?
Te3 Ba1 3.6004(6) 7 ?
Te3 Ba1 3.6557(7) 3_665 ?
Te3 Ba1 3.6557(7) 9_665 ?
Te4 Ba1 3.5222(4) 2_655 ?
Te4 Ba1 3.5222(4) 20_655 ?
Te4 Ba1 3.5222(4) 21 ?
Te4 Ba1 3.5222(4) 3_665 ?
Te4 Ba1 3.5222(4) 19_665 ?
Au1 Te1 2.6957(5) 2 ?
Au1 Te2 2.8674(7) 16_556 ?
Au1 Ba1 3.5738(6) 7 ?
Au1 Ba2 3.6102(6) 4_554 ?
