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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/43/8104380.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_8104380
loop_
_publ_author_name
'Sillen, L.G.'
'Edstrand, M.'
_publ_section_title
;
 On the Crystal Structure of Arppe's Bismuth Oxychloride Bi24 O31 Cl10 and
 the Isomorphous Oxybromide ('Step-Lattice Oxyhalides')
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              178
_journal_page_last               196
_journal_volume                  104
_journal_year                    1942
_chemical_formula_sum            'Bi24 Cl10 O31'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-A 2y'
_symmetry_space_group_name_H-M   'A 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 88.7
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.995
_cell_length_b                   3.969
_cell_length_c                   29.44
_cell_volume                     1167.589
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Sillen_ZEKGAX_1942_1629.cif
_cod_data_source_block           Bi24Cl10O31
_cod_original_sg_symbol_Hall     '-C 2y (z,y,-x)'
_cod_database_code               8104380
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x,y+1/2,z+1/2
-x,y+1/2,-z+1/2
-x,-y+1/2,-z+1/2
x,-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
O5 O-2 0.457 0 0.22 0.969 0.0
O4 O-2 0.626 0 0.339 0.969 0.0
Cl2 Cl-1 0.669 0 0.118 1 0.0
O2 O-2 0.965 0 0.576 0.969 0.0
Bi4 Bi+3 0.592 0 0.415 1 0.0
O8 O-2 0.95 0 0.863 0.969 0.0
Bi6 Bi+3 0.93 0 0.653 1 0.0
Bi2 Bi+3 0.253 0 0.178 1 0.0
O3 O-2 0.796 0 0.457 0.969 0.0
O1 O-2 0.134 0 0.695 0.969 0.0
Cl3 Cl-1 0.838 0 0.237 1 0.0
Bi5 Bi+3 0.761 0 0.534 1 0.0
Bi3 Bi+3 0.423 0 0.297 1 0.0
Bi1 Bi+3 0.084 0 0.059 1 0.0
Cl1 Cl-1 0.5 0 0 1 0.0
O6 O-2 0.288 0 0.101 0.969 0.0
O7 O-2 0.119 0 0.982 0.969 0.0
