#------------------------------------------------------------------------------
#$Date: 2018-08-22 12:50:20 +0300 (Wed, 22 Aug 2018) $
#$Revision: 210058 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/36/4343664.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_4343664
loop_
_publ_author_name
'Hershaft, Alex'
'Corbett, John D.'
_publ_section_title
;
 The Crystal Structure of Bismuth Subchloride. Identification of the Ion
 Bi₉⁵⁺
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   5
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              979
_journal_page_last               985
_journal_paper_doi               10.1021/ic50009a025
_journal_volume                  2
_journal_year                    1963
_chemical_formula_sum            'Bi48 Cl56'
_chemical_name_systematic        '(Bi9)4 (Bi Cl5)8 (Bi2 Cl8)2'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   23.057
_cell_length_b                   15.04
_cell_length_c                   8.761
_cell_volume                     3038.116
_cod_data_source_file            Hershaft_INOCAJ_1963_1134.cif
_cod_data_source_block           Bi48Cl56
_cod_original_cell_volume        3038.115
_cod_database_code               4343664
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x,y,-z
-x-1/2,y-1/2,z-1/2
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_occupancy
_atom_site_U_iso_or_equiv
Bi5 Bi 0.0723 0.3982 0 1 0.0
Cl11 Cl 0.466 0.274 0 1 0.0
Cl5 Cl 0.29 0.044 0.5 1 0.0
Bi7 Bi 0.3578 0.193 0.5 1 0.0
Cl6 Cl 0.315 0.01 0 1 0.0
Bi9 Bi 0.1525 0.3425 0.2669 1 0.0
Bi1 Bi 0.0459 0.2229 0.1876 1 0.0
Cl4 Cl 0.264 0.291 0.5 1 0.0
Cl8 Cl 0.332 0.449 0.216 1 0.0
Cl9 Cl 0.433 0.337 0.5 1 0.0
Bi8 Bi 0.239 0.3296 0 1 0.0
Bi2 Bi 0.2002 0.1544 0.1815 1 0.0
Bi3 Bi 0.4101 0.455 0 1 0.0
Cl10 Cl 0.445 0.086 0.302 1 0.0
Cl7 Cl 0.338 0.216 0.194 1 0.0
Bi6 Bi 0.4139 0.1009 0 1 0.0
Cl2 Cl 0.109 0.126 0.5 1 0.0
Cl3 Cl 0.052 0.418 0.5 1 0.0
Cl1 Cl 0 0 0.288 1 0.0
Bi4 Bi 0.0984 0.0692 0 1 0.0
