#------------------------------------------------------------------------------
#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/84/9008426.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9008426
loop_
_publ_author_name
'Keramidas, K. G.'
'Voutsas, G. P.'
'Rentzeperis, P. I.'
_publ_section_title
;
 The crystal structure of BiOCl
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              35
_journal_page_last               40
_journal_volume                  205
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi Cl O'
_chemical_name_mineral           Bismoclite
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.887
_cell_length_b                   3.887
_cell_length_c                   7.354
_cell_formula_units_Z            2
_cell_volume                     111.110
_database_code_amcsd             0011038
_exptl_crystal_density_diffrn    7.784
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Bi O Cl'
_cod_database_code               9008426
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-y,1/2-x,z
1/2+y,1/2+x,-z
1/2+y,-x,-z
1/2-y,x,z
x,1/2-y,z
-x,1/2+y,-z
1/2+x,1/2+y,-z
1/2-x,1/2-y,z
y,x,z
-y,-x,-z
-y,1/2+x,-z
y,1/2-x,z
1/2-x,y,z
1/2+x,-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Bi 0.25000 0.25000 0.17140 0.01260
O 0.25000 0.75000 0.00000 0.03121
Cl 0.25000 0.25000 0.64590 0.01945
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0011038
