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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/01/1530124.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_1530124
loop_
_publ_author_name
'Kanishcheva, A.S.'
'Lazarev, B.V.'
'Mikhailov, Yu.N.'
'Trippel, A.F.'
_publ_section_title
;
 A new cesium sulfobismuthite Cs Bi3 S5. Synthesis and structure
 containing extensive channels
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              96
_journal_page_last               99
_journal_volume                  252
_journal_year                    1980
_chemical_formula_sum            'Bi3 Cs S5'
_chemical_name_systematic        'Cs Bi3 S5'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2bc 2a'
_symmetry_space_group_name_H-M   'P m n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.0644
_cell_length_b                   12.098
_cell_length_c                   21.098
_cell_volume                     1037.412
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Kanishcheva_DANKAS_1980_562.cif
_cod_data_source_block           Bi3Cs1S5
_cod_original_sg_symbol_Hall     '-P 2ac 2n (y,-x,z)'
_cod_original_formula_sum        'Bi3 Cs1 S5'
_cod_database_code               1530124
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
x+1/2,-y,-z
-x,-y,-z
x,y-1/2,-z-1/2
x-1/2,-y-1/2,z-1/2
-x-1/2,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
S5 S-2 0.25 0.29 0.475 1 0.0
Cs1 Cs+1 0.25 0.5051 0.6096 1 0.0
Bi2 Bi+3 0.25 0.1294 0.3538 1 0.0
S3 S-2 0.25 0.013 0.582 1 0.0
Bi1 Bi+3 0.25 0.3294 0.0257 1 0.0
S2 S-2 0.25 0.251 0.808 1 0.0
S4 S-2 0.25 -0.011 0.258 1 0.0
Bi3 Bi+3 0.25 0.1456 0.6914 1 0.0
S1 S-2 0.25 0.224 0.133 1 0.0
