#------------------------------------------------------------------------------
#$Date: 2016-03-22 12:37:16 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178956 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/85/4118542.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_4118542
loop_
_publ_author_name
'Kulugammana G. S. Ranmohotti'
'Honore Djieutedjeu'
'Pierre F. P. Poudeu'
_publ_contact_author_address
;
Laboratory for Emerging Energy and Electronic Materials, 
Department of Materials Science and Engineering, 
University of Michigan, Ann Arbor, 48109, USA
;
_publ_contact_author_email       ppoudeup@umich.edu
_publ_contact_author_name        'Dr. Pierre Ferdinand Poudeu Poudeu'
_publ_section_title
;
 Chemical Manipulation of Magnetic Ordering in Mn1-xSnxBi2Se4
 Solid-Solutions
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14033
_journal_page_last               14042
_journal_paper_doi               10.1021/ja303952w
_journal_volume                  134
_journal_year                    2012
_chemical_formula_sum            'Bi8 Mn Se16 Sn3'
_chemical_formula_weight         3346.21
_chemical_melting_point          993
_chemical_name_systematic
; 
Manganese Tin Bismuth Selenide (1/3/8/16) 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'manual editing of SHELXL-97 cif-file'
_cell_angle_alpha                90.00
_cell_angle_beta                 115.520(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   13.493(6)
_cell_length_b                   4.1260(18)
_cell_length_c                   15.322(7)
_cell_measurement_reflns_used    1460
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.3
_cell_measurement_theta_min      3.4
_cell_volume                     769.8(6)
_computing_cell_refinement       'CELL (STOE & Cie GmbH, Darmstadt, 2000)'
_computing_data_collection       'EXPOSE (STOE & Cie GmbH, Darmstadt, 2000)'
_computing_data_reduction
'INTEGRATE (STOE & Cie GmbH, Darmstadt, 2000)'
_computing_molecular_graphics    'Diamond (Brandenburg, 1995)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'IPDS-2T Stoe'
_diffrn_measurement_method
'fixed phi and incremental omega oscillation 1 degree, 4 min exposure time'
_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  0.0445
_diffrn_reflns_av_sigmaI/netI    0.0563
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            1326
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         3.37
_exptl_absorpt_coefficient_mu    67.225
_exptl_absorpt_correction_T_max  0.134
_exptl_absorpt_correction_T_min  0.01
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
; 
crystal description from video camera using FACEIT 
(STOE & Cie GmbH, Darmstadt, 2003) and optimized with X-SHAPE 
(STOE & Cie GmbH, Darmstadt, 2003) 
using set of equivalent reflections
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    7.218
_exptl_crystal_description       Needle
_exptl_crystal_F_000             1383
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_refine_diff_density_max         3.616
_refine_diff_density_min         -2.712
_refine_diff_density_rms         0.561
_refine_ls_extinction_coef       0.0015(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   1.356
_refine_ls_matrix_type           full
_refine_ls_number_parameters     46
_refine_ls_number_reflns         1100
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.356
_refine_ls_R_factor_all          0.0499
_refine_ls_R_factor_gt           0.0497
_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)+(0.0470P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1044
_refine_ls_wR_factor_ref         0.1045
_reflns_number_gt                1100
_reflns_number_total             1100
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja303952w_si_003_3.cif
_cod_data_source_block           Mn0.25Sn0.753Bi2Se4-300K
_cod_database_code               4118542
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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
Bi1 Bi 0.28229(14) 0.0000 0.63842(11) 0.0235(5) Uani 0.80 2 d SP
Sn1 Sn 0.28229(14) 0.0000 0.63842(11) 0.0235(5) Uani 0.20 2 d SP
Bi2 Bi 0.35155(13) 0.0000 0.13290(10) 0.0218(4) Uani 1 2 d S
Bi3 Bi 0.0000 0.0000 0.0000 0.0233(6) Uani 0.40 4 d SP
Sn3 Sn 0.0000 0.0000 0.0000 0.0233(6) Uani 0.60 4 d SP
Sn4 Sn 0.0000 0.5000 0.5000 0.0312(13) Uani 0.48 4 d SP
Mn4 Mn 0.0000 0.5000 0.5000 0.0312(13) Uani 0.52 4 d SP
Se1 Se 0.0098(3) 0.0000 0.1901(3) 0.0208(8) Uani 1 2 d S
Se2 Se 0.1155(3) 0.0000 0.4563(2) 0.0152(7) Uani 1 2 d S
Se3 Se 0.6630(3) 0.0000 0.0633(2) 0.0182(7) Uani 1 2 d S
Se4 Se 0.3385(3) 0.0000 0.3230(2) 0.0160(7) 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
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Bi Bi -4.1077 10.2566 '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 Bi1 Se4 85.33(9) . 7_546
Se2 Bi1 Se4 85.33(9) . 7_556
Se4 Bi1 Se4 92.99(12) 7_546 7_556
Se2 Bi1 Se2 82.02(10) . 7_556
Se4 Bi1 Se2 166.22(9) 7_546 7_556
Se4 Bi1 Se2 91.40(8) 7_556 7_556
Se2 Bi1 Se2 82.02(10) . 7_546
Se4 Bi1 Se2 91.40(8) 7_546 7_546
Se4 Bi1 Se2 166.22(9) 7_556 7_546
Se2 Bi1 Se2 81.48(9) 7_556 7_546
Se2 Bi1 Se1 142.70(5) . 7_556
Se4 Bi1 Se1 127.33(10) 7_546 7_556
Se4 Bi1 Se1 76.47(9) 7_556 7_556
Se2 Bi1 Se1 66.42(9) 7_556 7_556
Se2 Bi1 Se1 110.87(10) 7_546 7_556
Se2 Bi1 Se1 142.70(5) . 7_546
Se4 Bi1 Se1 76.47(9) 7_546 7_546
Se4 Bi1 Se1 127.33(10) 7_556 7_546
Se2 Bi1 Se1 110.87(10) 7_556 7_546
Se2 Bi1 Se1 66.42(9) 7_546 7_546
Se1 Bi1 Se1 70.81(8) 7_556 7_546
Se2 Bi1 Sn4 44.50(6) . 1_545
Se4 Bi1 Sn4 40.83(7) 7_546 1_545
Se4 Bi1 Sn4 89.12(8) 7_556 1_545
Se2 Bi1 Sn4 126.28(8) 7_556 1_545
Se2 Bi1 Sn4 85.69(7) 7_546 1_545
Se1 Bi1 Sn4 161.56(8) 7_556 1_545
Se1 Bi1 Sn4 110.89(5) 7_546 1_545
Se1 Bi2 Se1 93.89(12) 3 3_545
Se1 Bi2 Se3 91.47(10) 3 5_655
Se1 Bi2 Se3 91.47(10) 3_545 5_655
Se1 Bi2 Se4 92.98(10) 3 .
Se1 Bi2 Se4 92.98(10) 3_545 .
Se3 Bi2 Se4 173.48(12) 5_655 .
Se1 Bi2 Se3 174.98(7) 3 3_445
Se1 Bi2 Se3 91.12(8) 3_545 3_445
Se3 Bi2 Se3 87.98(9) 5_655 3_445
Se4 Bi2 Se3 87.17(9) . 3_445
Se1 Bi2 Se3 91.12(8) 3 3_455
Se1 Bi2 Se3 174.98(7) 3_545 3_455
Se3 Bi2 Se3 87.98(9) 5_655 3_455
Se4 Bi2 Se3 87.17(9) . 3_455
Se3 Bi2 Se3 83.87(10) 3_445 3_455
Se1 Bi2 Bi3 45.72(8) 3 3
Se1 Bi2 Bi3 93.28(8) 3_545 3
Se3 Bi2 Bi3 45.75(6) 5_655 3
Se4 Bi2 Bi3 138.55(6) . 3
Se3 Bi2 Bi3 133.58(8) 3_445 3
Se3 Bi2 Bi3 89.91(7) 3_455 3
Se1 Bi2 Sn3 93.28(8) 3 3_545
Se1 Bi2 Sn3 45.72(8) 3_545 3_545
Se3 Bi2 Sn3 45.75(6) 5_655 3_545
Se4 Bi2 Sn3 138.55(6) . 3_545
Se3 Bi2 Sn3 89.91(7) 3_445 3_545
Se3 Bi2 Sn3 133.58(8) 3_455 3_545
Bi3 Bi2 Sn3 62.25(4) 3 3_545
Se1 Bi3 Se1 180.0 5 .
Se1 Bi3 Se3 87.89(9) 5 7_545
Se1 Bi3 Se3 92.11(9) . 7_545
Se1 Bi3 Se3 92.11(9) 5 3_455
Se1 Bi3 Se3 87.89(9) . 3_455
Se3 Bi3 Se3 180.00(13) 7_545 3_455
Se1 Bi3 Se3 87.89(9) 5 7
Se1 Bi3 Se3 92.11(9) . 7
Se3 Bi3 Se3 92.22(11) 7_545 7
Se3 Bi3 Se3 87.78(11) 3_455 7
Se1 Bi3 Se3 92.11(9) 5 3_445
Se1 Bi3 Se3 87.89(9) . 3_445
Se3 Bi3 Se3 87.78(11) 7_545 3_445
Se3 Bi3 Se3 92.22(11) 3_455 3_445
Se3 Bi3 Se3 180.00(15) 7 3_445
Se1 Bi3 Bi2 134.98(5) 5 3_455
Se1 Bi3 Bi2 45.02(5) . 3_455
Se3 Bi3 Bi2 93.68(7) 7_545 3_455
Se3 Bi3 Bi2 86.32(7) 3_455 3_455
Se3 Bi3 Bi2 47.10(7) 7 3_455
Se3 Bi3 Bi2 132.90(7) 3_445 3_455
Se1 Bi3 Bi2 45.02(5) 5 7_545
Se1 Bi3 Bi2 134.98(5) . 7_545
Se3 Bi3 Bi2 86.32(7) 7_545 7_545
Se3 Bi3 Bi2 93.68(7) 3_455 7_545
Se3 Bi3 Bi2 132.90(7) 7 7_545
Se3 Bi3 Bi2 47.10(7) 3_445 7_545
Bi2 Bi3 Bi2 180.00(4) 3_455 7_545
Se4 Sn4 Se4 180.0 7_556 3_455
Se4 Sn4 Se2 92.98(9) 7_556 5_556
Se4 Sn4 Se2 87.02(9) 3_455 5_556
Se4 Sn4 Se2 87.02(9) 7_556 1_565
Se4 Sn4 Se2 92.98(9) 3_455 1_565
Se2 Sn4 Se2 180.0 5_556 1_565
Se4 Sn4 Se2 92.98(9) 7_556 5_566
Se4 Sn4 Se2 87.02(9) 3_455 5_566
Se2 Sn4 Se2 93.43(11) 5_556 5_566
Se2 Sn4 Se2 86.57(11) 1_565 5_566
Se4 Sn4 Se2 87.02(9) 7_556 .
Se4 Sn4 Se2 92.98(9) 3_455 .
Se2 Sn4 Se2 86.57(11) 5_556 .
Se2 Sn4 Se2 93.43(11) 1_565 .
Se2 Sn4 Se2 180.0 5_566 .
Se4 Sn4 Bi1 135.39(6) 7_556 5_556
Se4 Sn4 Bi1 44.61(6) 3_455 5_556
Se2 Sn4 Bi1 42.41(7) 5_556 5_556
Se2 Sn4 Bi1 137.59(7) 1_565 5_556
Se2 Sn4 Bi1 90.32(7) 5_566 5_556
Se2 Sn4 Bi1 89.68(7) . 5_556
Se4 Sn4 Sn1 44.61(6) 7_556 1_565
Se4 Sn4 Sn1 135.39(6) 3_455 1_565
Se2 Sn4 Sn1 137.59(7) 5_556 1_565
Se2 Sn4 Sn1 42.41(7) 1_565 1_565
Se2 Sn4 Sn1 89.68(7) 5_566 1_565
Se2 Sn4 Sn1 90.32(7) . 1_565
Bi1 Sn4 Sn1 180.00(4) 5_556 1_565
Bi2 Se1 Bi2 93.89(12) 3_445 3_455
Bi2 Se1 Bi3 89.26(9) 3_445 .
Bi2 Se1 Bi3 89.26(9) 3_455 .
Bi2 Se1 Sn1 154.47(13) 3_445 7_556
Bi2 Se1 Sn1 93.19(5) 3_455 7_556
Bi3 Se1 Sn1 115.34(10) . 7_556
Bi2 Se1 Bi1 154.47(13) 3_445 7_556
Bi2 Se1 Bi1 93.19(5) 3_455 7_556
Bi3 Se1 Bi1 115.34(10) . 7_556
Sn1 Se1 Bi1 0.00(5) 7_556 7_556
Bi2 Se1 Bi1 93.19(5) 3_445 7_546
Bi2 Se1 Bi1 154.47(13) 3_455 7_546
Bi3 Se1 Bi1 115.34(10) . 7_546
Sn1 Se1 Bi1 70.81(8) 7_556 7_546
Bi1 Se1 Bi1 70.81(8) 7_556 7_546
Bi2 Se1 Sn1 93.19(5) 3_445 7_546
Bi2 Se1 Sn1 154.47(13) 3_455 7_546
Bi3 Se1 Sn1 115.34(10) . 7_546
Sn1 Se1 Sn1 70.81(8) 7_556 7_546
Bi1 Se1 Sn1 70.81(8) 7_556 7_546
Bi1 Se1 Sn1 0.0 7_546 7_546
Bi1 Se2 Mn4 93.09(9) . 1_545
Bi1 Se2 Sn4 93.09(9) . 1_545
Mn4 Se2 Sn4 0.0 1_545 1_545
Bi1 Se2 Sn4 93.09(9) . .
Mn4 Se2 Sn4 93.43(11) 1_545 .
Sn4 Se2 Sn4 93.43(11) 1_545 .
Bi1 Se2 Bi1 97.98(10) . 7_546
Mn4 Se2 Bi1 91.52(4) 1_545 7_546
Sn4 Se2 Bi1 91.52(4) 1_545 7_546
Sn4 Se2 Bi1 167.61(12) . 7_546
Bi1 Se2 Sn1 97.98(10) . 7_546
Mn4 Se2 Sn1 91.52(4) 1_545 7_546
Sn4 Se2 Sn1 91.52(4) 1_545 7_546
Sn4 Se2 Sn1 167.61(12) . 7_546
Bi1 Se2 Sn1 0.00(5) 7_546 7_546
Sn3 Se3 Bi3 0.0 3_545 3_545
Sn3 Se3 Sn3 92.22(11) 3_545 3
Bi3 Se3 Sn3 92.22(11) 3_545 3
Sn3 Se3 Bi3 92.22(11) 3_545 3
Bi3 Se3 Bi3 92.22(11) 3_545 3
Sn3 Se3 Bi3 0.0 3 3
Sn3 Se3 Bi2 87.15(9) 3_545 5_655
Bi3 Se3 Bi2 87.15(9) 3_545 5_655
Sn3 Se3 Bi2 87.15(9) 3 5_655
Bi3 Se3 Bi2 87.15(9) 3 5_655
Sn3 Se3 Bi2 175.71(10) 3_545 3
Bi3 Se3 Bi2 175.71(10) 3_545 3
Sn3 Se3 Bi2 91.95(4) 3 3
Bi3 Se3 Bi2 91.95(4) 3 3
Bi2 Se3 Bi2 92.02(9) 5_655 3
Sn3 Se3 Bi2 91.95(4) 3_545 3_545
Bi3 Se3 Bi2 91.95(4) 3_545 3_545
Sn3 Se3 Bi2 175.71(10) 3 3_545
Bi3 Se3 Bi2 175.71(10) 3 3_545
Bi2 Se3 Bi2 92.02(9) 5_655 3_545
Bi2 Se3 Bi2 83.87(10) 3 3_545
Sn3 Se3 Se3 46.11(5) 3_545 5_655
Bi3 Se3 Se3 46.11(5) 3_545 5_655
Sn3 Se3 Se3 46.11(5) 3 5_655
Bi3 Se3 Se3 46.11(5) 3 5_655
Bi2 Se3 Se3 85.88(12) 5_655 5_655
Bi2 Se3 Se3 138.05(5) 3 5_655
Bi2 Se3 Se3 138.05(5) 3_545 5_655
Mn4 Se4 Sn4 0.0 3_545 3_545
Mn4 Se4 Sn1 94.56(9) 3_545 7_546
Sn4 Se4 Sn1 94.56(9) 3_545 7_546
Mn4 Se4 Bi1 94.56(9) 3_545 7_546
Sn4 Se4 Bi1 94.56(9) 3_545 7_546
Sn1 Se4 Bi1 0.00(6) 7_546 7_546
Mn4 Se4 Sn1 94.56(9) 3_545 7_556
Sn4 Se4 Sn1 94.56(9) 3_545 7_556
Sn1 Se4 Sn1 92.99(12) 7_546 7_556
Bi1 Se4 Sn1 92.99(12) 7_546 7_556
Mn4 Se4 Bi1 94.56(9) 3_545 7_556
Sn4 Se4 Bi1 94.56(9) 3_545 7_556
Sn1 Se4 Bi1 92.99(12) 7_546 7_556
Bi1 Se4 Bi1 92.99(12) 7_546 7_556
Sn1 Se4 Bi1 0.00(7) 7_556 7_556
Mn4 Se4 Bi2 128.98(15) 3_545 .
Sn4 Se4 Bi2 128.98(15) 3_545 .
Sn1 Se4 Bi2 118.79(9) 7_546 .
Bi1 Se4 Bi2 118.79(9) 7_546 .
Sn1 Se4 Bi2 118.79(9) 7_556 .
Bi1 Se4 Bi2 118.79(9) 7_556 .
Mn4 Se4 Se2 48.53(6) 3_545 7_556
Sn4 Se4 Se2 48.53(6) 3_545 7_556
Sn1 Se4 Se2 95.63(10) 7_546 7_556
Bi1 Se4 Se2 95.63(10) 7_546 7_556
Sn1 Se4 Se2 46.03(7) 7_556 7_556
Bi1 Se4 Se2 46.03(7) 7_556 7_556
Bi2 Se4 Se2 144.62(6) . 7_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Bi1 Se2 2.727(4) .
Bi1 Se4 2.844(3) 7_546
Bi1 Se4 2.844(3) 7_556
Bi1 Se2 3.161(3) 7_556
Bi1 Se2 3.161(3) 7_546
Bi1 Se1 3.561(3) 7_556
Bi1 Se1 3.561(3) 7_546
Bi2 Se1 2.823(3) 3
Bi2 Se1 2.823(3) 3_545
Bi2 Se3 2.927(4) 5_655
Bi2 Se4 2.993(4) .
Bi2 Se3 3.087(3) 3_445
Bi2 Se3 3.087(3) 3_455
Bi3 Se1 2.858(4) 5
Bi3 Se1 2.858(4) .
Bi3 Se3 2.863(3) 7_545
Bi3 Se3 2.863(3) 3_455
Bi3 Se3 2.863(3) 7
Bi3 Se3 2.863(3) 3_445
Sn4 Se4 2.648(3) 7_556
Sn4 Se4 2.648(3) 3_455
Sn4 Se2 2.834(2) 5_556
Sn4 Se2 2.834(2) 1_565
Sn4 Se2 2.834(2) 5_566
Sn4 Se2 2.834(2) .
Se1 Bi2 2.823(3) 3_445
Se1 Bi2 2.823(3) 3_455
Se1 Sn1 3.561(3) 7_556
Se1 Bi1 3.561(3) 7_556
Se1 Bi1 3.561(3) 7_546
Se1 Sn1 3.561(3) 7_546
Se2 Mn4 2.834(2) 1_545
Se2 Sn4 2.834(2) 1_545
Se2 Bi1 3.161(3) 7_546
Se2 Sn1 3.161(3) 7_546
Se3 Sn3 2.863(3) 3_545
Se3 Bi3 2.863(3) 3_545
Se3 Sn3 2.863(3) 3
Se3 Bi3 2.863(3) 3
Se3 Bi2 2.927(4) 5_655
Se3 Bi2 3.087(3) 3
Se3 Bi2 3.087(3) 3_545
Se3 Se3 3.969(7) 5_655
Se4 Mn4 2.648(3) 3_545
Se4 Sn4 2.648(3) 3_545
Se4 Sn1 2.844(3) 7_546
Se4 Bi1 2.844(3) 7_546
Se4 Sn1 2.844(3) 7_556
Se4 Bi1 2.844(3) 7_556
Se4 Se2 3.777(4) 7_556
