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#$Date: 2021-05-28 12:39:14 +0300 (Fri, 28 May 2021) $
#$Revision: 265582 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/29/1562954.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_1562954
loop_
_publ_author_name
'Yin, Wenlong'
'Feng, Kai'
'Hao, Wenyu'
'Yao, Jiyong'
'Wu, Yicheng'
_publ_section_title
;
 Syntheses, structures, and optical properties of Ba4MInSe6 (M=Cu, Ag)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              168
_journal_page_last               171
_journal_paper_doi               10.1016/j.jssc.2012.03.068
_journal_volume                  192
_journal_year                    2012
_chemical_formula_sum            'Ag Ba4 In Se6'
_chemical_formula_weight         1245.81
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.1793(18)
_cell_length_b                   4.5014(9)
_cell_length_c                   17.849(4)
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      30.0287
_cell_measurement_theta_min      2.3335
_cell_volume                     737.5(3)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku AFC10 diffractometer'
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0645
_diffrn_reflns_av_sigmaI/netI    0.0461
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            6373
_diffrn_reflns_theta_full        30.02
_diffrn_reflns_theta_max         30.02
_diffrn_reflns_theta_min         2.28
_exptl_absorpt_coefficient_mu    28.108
_exptl_absorpt_correction_T_max  0.28
_exptl_absorpt_correction_T_min  0.13
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'face indexed'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    5.610
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Chunk
_exptl_crystal_F_000             1048
_exptl_crystal_size_max          0.1150
_exptl_crystal_size_mid          0.0700
_exptl_crystal_size_min          0.0430
_refine_diff_density_max         1.300
_refine_diff_density_min         -1.876
_refine_diff_density_rms         0.356
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    .
_refine_ls_matrix_type           full
_refine_ls_number_parameters     37
_refine_ls_number_reflns         1202
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0406
_refine_ls_R_factor_gt           0.0303
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0200P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0542
_refine_ls_wR_factor_ref         0.0578
_reflns_number_gt                1048
_reflns_number_total             1202
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2012-192-168.cif
_cod_data_source_block           finalt
_cod_original_sg_symbol_H-M      Pnma
_cod_database_code               1562954
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'
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 0.07677(5) 0.2500 0.71372(3) 0.00962(12) Uani 1 2 d S . .
Ba2 Ba 0.24228(5) 0.2500 0.46067(3) 0.00660(12) Uani 1 2 d S . .
Ag Ag 0.12584(6) 0.2500 0.13432(3) 0.00751(13) Uani 0.50 2 d SP . .
In In 0.12584(6) 0.2500 0.13432(3) 0.00751(13) Uani 0.50 2 d SP . .
Se1 Se 0.51101(8) 0.2500 0.59745(5) 0.00736(17) Uani 1 2 d S . .
Se2 Se 0.18851(8) 0.2500 0.27759(5) 0.00662(17) Uani 1 2 d S . .
Se3 Se 0.38285(8) 0.2500 0.07150(5) 0.00659(17) Uani 1 2 d S . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
In In -0.7276 1.3100 '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'
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
Se2 Ba1 Se2 85.43(3) 2_565 2
Se2 Ba1 Se2 156.967(18) 2_565 5_556
Se2 Ba1 Se2 90.022(16) 2 5_556
Se2 Ba1 Se2 90.022(16) 2_565 5_566
Se2 Ba1 Se2 156.967(18) 2 5_566
Se2 Ba1 Se2 85.38(3) 5_556 5_566
Se2 Ba1 Se3 129.23(2) 2_565 2
Se2 Ba1 Se3 74.79(2) 2 2
Se2 Ba1 Se3 70.57(2) 5_556 2
Se2 Ba1 Se3 124.16(2) 5_566 2
Se2 Ba1 Se3 74.79(2) 2_565 2_565
Se2 Ba1 Se3 129.23(2) 2 2_565
Se2 Ba1 Se3 124.16(2) 5_556 2_565
Se2 Ba1 Se3 70.57(2) 5_566 2_565
Se3 Ba1 Se3 82.52(3) 2 2_565
Se2 Ba1 Se1 77.07(2) 2_565 6_557
Se2 Ba1 Se1 77.07(2) 2 6_557
Se2 Ba1 Se1 79.905(19) 5_556 6_557
Se2 Ba1 Se1 79.905(19) 5_566 6_557
Se3 Ba1 Se1 138.704(14) 2 6_557
Se3 Ba1 Se1 138.704(14) 2_565 6_557
Se2 Ba1 In 42.44(2) 2_565 2_565
Se2 Ba1 In 93.63(2) 2 2_565
Se2 Ba1 In 160.59(2) 5_556 2_565
Se2 Ba1 In 98.186(19) 5_566 2_565
Se3 Ba1 In 92.01(2) 2 2_565
Se3 Ba1 In 41.941(17) 2_565 2_565
Se1 Ba1 In 119.490(16) 6_557 2_565
Se2 Ba1 Ag 42.44(2) 2_565 2_565
Se2 Ba1 Ag 93.63(2) 2 2_565
Se2 Ba1 Ag 160.59(2) 5_556 2_565
Se2 Ba1 Ag 98.186(19) 5_566 2_565
Se3 Ba1 Ag 92.01(2) 2 2_565
Se3 Ba1 Ag 41.941(17) 2_565 2_565
Se1 Ba1 Ag 119.490(16) 6_557 2_565
In Ba1 Ag 0.000(16) 2_565 2_565
Se2 Ba1 In 93.63(2) 2_565 2
Se2 Ba1 In 42.44(2) 2 2
Se2 Ba1 In 98.186(19) 5_556 2
Se2 Ba1 In 160.59(2) 5_566 2
Se3 Ba1 In 41.941(17) 2 2
Se3 Ba1 In 92.01(2) 2_565 2
Se1 Ba1 In 119.490(16) 6_557 2
In Ba1 In 72.389(19) 2_565 2
Ag Ba1 In 72.389(19) 2_565 2
Se2 Ba1 Ag 93.63(2) 2_565 2
Se2 Ba1 Ag 42.44(2) 2 2
Se2 Ba1 Ag 98.186(19) 5_556 2
Se2 Ba1 Ag 160.59(2) 5_566 2
Se3 Ba1 Ag 41.941(17) 2 2
Se3 Ba1 Ag 92.01(2) 2_565 2
Se1 Ba1 Ag 119.490(16) 6_557 2
In Ba1 Ag 72.389(19) 2_565 2
Ag Ba1 Ag 72.389(19) 2_565 2
In Ba1 Ag 0.000(16) 2 2
Se2 Ba1 Ag 71.70(2) 2_565 5_566
Se2 Ba1 Ag 116.89(2) 2 5_566
Se2 Ba1 Ag 90.50(2) 5_556 5_566
Se2 Ba1 Ag 40.794(18) 5_566 5_566
Se3 Ba1 Ag 158.34(2) 2 5_566
Se3 Ba1 Ag 100.630(18) 2_565 5_566
Se1 Ba1 Ag 41.217(12) 6_557 5_566
In Ba1 Ag 104.703(15) 2_565 5_566
Ag Ba1 Ag 104.703(15) 2_565 5_566
In Ba1 Ag 157.052(17) 2 5_566
Ag Ba1 Ag 157.052(17) 2 5_566
Se3 Ba2 Se3 89.07(3) 2_565 2
Se3 Ba2 Se2 123.786(19) 2_565 .
Se3 Ba2 Se2 123.786(19) 2 .
Se3 Ba2 Se3 75.71(2) 2_565 6_556
Se3 Ba2 Se3 75.70(2) 2 6_556
Se2 Ba2 Se3 71.54(2) . 6_556
Se3 Ba2 Se1 87.81(2) 2_565 5_666
Se3 Ba2 Se1 154.44(3) 2 5_666
Se2 Ba2 Se1 78.18(2) . 5_666
Se3 Ba2 Se1 127.706(19) 6_556 5_666
Se3 Ba2 Se1 154.44(3) 2_565 5_656
Se3 Ba2 Se1 87.81(2) 2 5_656
Se2 Ba2 Se1 78.18(2) . 5_656
Se3 Ba2 Se1 127.706(19) 6_556 5_656
Se1 Ba2 Se1 84.20(3) 5_666 5_656
Se3 Ba2 Se1 79.67(2) 2_565 .
Se3 Ba2 Se1 79.67(2) 2 .
Se2 Ba2 Se1 143.29(2) . .
Se3 Ba2 Se1 145.17(2) 6_556 .
Se1 Ba2 Se1 74.81(2) 5_666 .
Se1 Ba2 Se1 74.81(2) 5_656 .
Se3 Ba2 In 126.152(16) 2_565 6_656
Se3 Ba2 In 126.152(16) 2 6_656
Se2 Ba2 In 72.876(19) . 6_656
Se3 Ba2 In 144.41(2) 6_556 6_656
Se1 Ba2 In 42.112(13) 5_666 6_656
Se1 Ba2 In 42.112(13) 5_656 6_656
Se1 Ba2 In 70.42(2) . 6_656
Se3 Ba2 Ag 126.152(16) 2_565 6_656
Se3 Ba2 Ag 126.152(16) 2 6_656
Se2 Ba2 Ag 72.876(19) . 6_656
Se3 Ba2 Ag 144.41(2) 6_556 6_656
Se1 Ba2 Ag 42.112(13) 5_666 6_656
Se1 Ba2 Ag 42.112(13) 5_656 6_656
Se1 Ba2 Ag 70.42(2) . 6_656
In Ba2 Ag 0.000(15) 6_656 6_656
Se3 Ba2 In 40.472(19) 2_565 2_565
Se3 Ba2 In 91.44(2) 2 2_565
Se2 Ba2 In 143.893(11) . 2_565
Se3 Ba2 In 115.414(17) 6_556 2_565
Se1 Ba2 In 70.094(19) 5_666 2_565
Se1 Ba2 In 114.25(2) 5_656 2_565
Se1 Ba2 In 40.806(12) . 2_565
In Ba2 In 93.627(17) 6_656 2_565
Ag Ba2 In 93.627(17) 6_656 2_565
Se3 Ba2 Ag 40.472(19) 2_565 2_565
Se3 Ba2 Ag 91.44(2) 2 2_565
Se2 Ba2 Ag 143.893(11) . 2_565
Se3 Ba2 Ag 115.414(17) 6_556 2_565
Se1 Ba2 Ag 70.094(19) 5_666 2_565
Se1 Ba2 Ag 114.25(2) 5_656 2_565
Se1 Ba2 Ag 40.806(12) . 2_565
In Ba2 Ag 93.627(17) 6_656 2_565
Ag Ba2 Ag 93.627(17) 6_656 2_565
In Ba2 Ag 0.000(11) 2_565 2_565
Se3 Ba2 Ag 91.44(2) 2_565 2
Se3 Ba2 Ag 40.472(19) 2 2
Se2 Ba2 Ag 143.893(11) . 2
Se3 Ba2 Ag 115.414(17) 6_556 2
Se1 Ba2 Ag 114.25(2) 5_666 2
Se1 Ba2 Ag 70.094(19) 5_656 2
Se1 Ba2 Ag 40.806(12) . 2
In Ba2 Ag 93.627(17) 6_656 2
Ag Ba2 Ag 93.627(17) 6_656 2
In Ba2 Ag 68.147(19) 2_565 2
Ag Ba2 Ag 68.147(19) 2_565 2
Se3 Ag Se2 102.74(3) . .
Se3 Ag Se1 108.68(3) . 2_554
Se2 Ag Se1 110.18(2) . 2_554
Se3 Ag Se1 108.68(3) . 2_564
Se2 Ag Se1 110.18(2) . 2_564
Se1 Ag Se1 115.57(4) 2_554 2_564
Se3 Ag Ba1 60.84(2) . 2_564
Se2 Ag Ba1 58.670(17) . 2_564
Se1 Ag Ba1 158.41(2) 2_554 2_564
Se1 Ag Ba1 86.02(2) 2_564 2_564
Se3 Ag Ba1 60.84(2) . 2_554
Se2 Ag Ba1 58.670(17) . 2_554
Se1 Ag Ba1 86.02(2) 2_554 2_554
Se1 Ag Ba1 158.41(2) 2_564 2_554
Ba1 Ag Ba1 72.390(19) 2_564 2_554
Se3 Ag Ba2 128.86(3) . 6_556
Se2 Ag Ba2 128.39(3) . 6_556
Se1 Ag Ba2 57.806(19) 2_554 6_556
Se1 Ag Ba2 57.806(19) 2_564 6_556
Ba1 Ag Ba2 143.770(9) 2_564 6_556
Ba1 Ag Ba2 143.770(10) 2_554 6_556
Se3 Ag Ba1 135.535(18) . 5_566
Se2 Ag Ba1 55.836(19) . 5_566
Se1 Ag Ba1 115.20(3) 2_554 5_566
Se1 Ag Ba1 58.01(2) 2_564 5_566
Ba1 Ag Ba1 75.385(14) 2_564 5_566
Ba1 Ag Ba1 114.502(18) 2_554 5_566
Ba2 Ag Ba1 82.808(17) 6_556 5_566
Se3 Ag Ba1 135.535(18) . 5_556
Se2 Ag Ba1 55.836(19) . 5_556
Se1 Ag Ba1 58.01(2) 2_554 5_556
Se1 Ag Ba1 115.20(3) 2_564 5_556
Ba1 Ag Ba1 114.503(19) 2_564 5_556
Ba1 Ag Ba1 75.385(15) 2_554 5_556
Ba2 Ag Ba1 82.808(17) 6_556 5_556
Ba1 Ag Ba1 68.775(18) 5_566 5_556
Se3 Ag Ba2 52.888(17) . 2_554
Se2 Ag Ba2 133.364(19) . 2_554
Se1 Ag Ba2 58.49(2) 2_554 2_554
Se1 Ag Ba2 115.18(3) 2_564 2_554
Ba1 Ag Ba2 113.698(19) 2_564 2_554
Ba1 Ag Ba2 74.944(16) 2_554 2_554
Ba2 Ag Ba2 86.372(17) 6_556 2_554
Ba1 Ag Ba2 169.166(19) 5_566 2_554
Ba1 Ag Ba2 110.447(15) 5_556 2_554
Se3 Ag Ba2 52.888(17) . 2_564
Se2 Ag Ba2 133.364(19) . 2_564
Se1 Ag Ba2 115.18(3) 2_554 2_564
Se1 Ag Ba2 58.49(2) 2_564 2_564
Ba1 Ag Ba2 74.944(16) 2_564 2_564
Ba1 Ag Ba2 113.698(19) 2_554 2_564
Ba2 Ag Ba2 86.372(17) 6_556 2_564
Ba1 Ag Ba2 110.447(15) 5_566 2_564
Ba1 Ag Ba2 169.166(19) 5_556 2_564
Ba2 Ag Ba2 68.146(19) 2_554 2_564
In Se1 Ag 0.00(2) 2 2
In Se1 In 115.57(4) 2 2_565
Ag Se1 In 115.57(4) 2 2_565
In Se1 Ag 115.57(4) 2 2_565
Ag Se1 Ag 115.57(4) 2 2_565
In Se1 Ag 0.00(3) 2_565 2_565
In Se1 Ba2 164.20(3) 2 5_666
Ag Se1 Ba2 164.20(3) 2 5_666
In Se1 Ba2 80.081(19) 2_565 5_666
Ag Se1 Ba2 80.081(19) 2_565 5_666
In Se1 Ba2 80.081(19) 2 5_656
Ag Se1 Ba2 80.081(19) 2 5_656
In Se1 Ba2 164.20(3) 2_565 5_656
Ag Se1 Ba2 164.20(3) 2_565 5_656
Ba2 Se1 Ba2 84.20(3) 5_666 5_656
In Se1 Ba1 80.78(2) 2 6_657
Ag Se1 Ba1 80.78(2) 2 6_657
In Se1 Ba1 80.78(2) 2_565 6_657
Ag Se1 Ba1 80.78(2) 2_565 6_657
Ba2 Se1 Ba1 100.67(2) 5_666 6_657
Ba2 Se1 Ba1 100.67(2) 5_656 6_657
In Se1 Ba2 80.70(2) 2 .
Ag Se1 Ba2 80.70(2) 2 .
In Se1 Ba2 80.70(2) 2_565 .
Ag Se1 Ba2 80.70(2) 2_565 .
Ba2 Se1 Ba2 105.20(2) 5_666 .
Ba2 Se1 Ba2 105.20(2) 5_656 .
Ba1 Se1 Ba2 144.86(3) 6_657 .
Ag Se2 Ba2 175.91(3) . .
Ag Se2 Ba1 78.89(2) . 2_564
Ba2 Se2 Ba1 104.05(2) . 2_564
Ag Se2 Ba1 78.89(2) . 2_554
Ba2 Se2 Ba1 104.05(2) . 2_554
Ba1 Se2 Ba1 85.43(3) 2_564 2_554
Ag Se2 Ba1 83.37(2) . 5_556
Ba2 Se2 Ba1 93.63(2) . 5_556
Ba1 Se2 Ba1 162.25(3) 2_564 5_556
Ba1 Se2 Ba1 91.861(16) 2_554 5_556
Ag Se2 Ba1 83.37(2) . 5_566
Ba2 Se2 Ba1 93.63(2) . 5_566
Ba1 Se2 Ba1 91.861(16) 2_564 5_566
Ba1 Se2 Ba1 162.25(3) 2_554 5_566
Ba1 Se2 Ba1 85.38(3) 5_556 5_566
Ag Se3 Ba2 86.64(2) . 2_554
Ag Se3 Ba2 86.64(2) . 2_564
Ba2 Se3 Ba2 89.07(3) 2_554 2_564
Ag Se3 Ba2 164.45(4) . 6_656
Ba2 Se3 Ba2 104.30(2) 2_554 6_656
Ba2 Se3 Ba2 104.30(2) 2_564 6_656
Ag Se3 Ba1 77.22(2) . 2_564
Ba2 Se3 Ba1 163.73(3) 2_554 2_564
Ba2 Se3 Ba1 92.000(18) 2_564 2_564
Ba2 Se3 Ba1 91.17(2) 6_656 2_564
Ag Se3 Ba1 77.22(2) . 2_554
Ba2 Se3 Ba1 92.000(18) 2_554 2_554
Ba2 Se3 Ba1 163.73(3) 2_564 2_554
Ba2 Se3 Ba1 91.17(2) 6_656 2_554
Ba1 Se3 Ba1 82.52(3) 2_564 2_554
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ba1 Se2 3.3177(8) 2_565
Ba1 Se2 3.3177(8) 2
Ba1 Se2 3.3196(8) 5_556
Ba1 Se2 3.3196(8) 5_566
Ba1 Se3 3.4127(9) 2
Ba1 Se3 3.4127(9) 2_565
Ba1 Se1 3.4240(11) 6_557
Ba1 In 3.8113(8) 2_565
Ba1 Ag 3.8113(8) 2_565
Ba1 In 3.8113(8) 2
Ba1 Ag 3.8113(8) 2
Ba1 Ag 3.9851(8) 5_566
Ba2 Se3 3.2092(8) 2_565
Ba2 Se3 3.2092(8) 2
Ba2 Se2 3.3047(11) .
Ba2 Se3 3.3490(11) 6_556
Ba2 Se1 3.3571(8) 5_666
Ba2 Se1 3.3571(8) 5_656
Ba2 Se1 3.4706(10) .
Ba2 In 3.9077(10) 6_656
Ba2 Ag 3.9077(10) 6_656
Ba2 In 4.0173(8) 2_565
Ba2 Ag 4.0173(8) 2_565
Ba2 Ag 4.0173(8) 2
Ag Se3 2.6121(11) .
Ag Se2 2.6211(12) .
Ag Se1 2.6602(6) 2_554
Ag Se1 2.6602(6) 2_564
Ag Ba1 3.8113(8) 2_564
Ag Ba1 3.8113(8) 2_554
Ag Ba2 3.9077(10) 6_556
Ag Ba1 3.9850(8) 5_566
Ag Ba1 3.9850(8) 5_556
Ag Ba2 4.0173(8) 2_554
Ag Ba2 4.0173(8) 2_564
Se1 In 2.6602(7) 2
Se1 Ag 2.6602(7) 2
Se1 In 2.6602(6) 2_565
Se1 Ag 2.6602(6) 2_565
Se1 Ba2 3.3570(8) 5_666
Se1 Ba2 3.3570(8) 5_656
Se1 Ba1 3.4240(12) 6_657
Se2 Ba1 3.3178(8) 2_564
Se2 Ba1 3.3178(8) 2_554
Se2 Ba1 3.3195(8) 5_556
Se2 Ba1 3.3195(8) 5_566
Se3 Ba2 3.2092(8) 2_554
Se3 Ba2 3.2092(8) 2_564
Se3 Ba2 3.3490(11) 6_656
Se3 Ba1 3.4128(9) 2_564
Se3 Ba1 3.4128(9) 2_554
