#------------------------------------------------------------------------------
#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9011782.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_9011782
loop_
_publ_author_name
'Bannister, F. A.'
_publ_section_title
;
 The crystal-structure of the bismuth oxyhalides
 Locality: synthetic
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              49
_journal_page_last               58
_journal_volume                  24
_journal_year                    1935
_chemical_formula_sum            'Bi Cl O'
_chemical_name_mineral           Bismoclite
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.89
_cell_length_b                   3.89
_cell_length_c                   7.37
_cell_volume                     111.524
_exptl_crystal_density_diffrn    7.755
_[local]_cod_cif_authors_sg_H-M  'P 4/n m m'
_[local]_cod_chemical_formula_sum_orig 'Bi O Cl'
_cod_database_code               9011782
_amcsd_database_code             AMCSD#0012033
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-y,1/2-x,z
y,x,-z
y,-x,-z
1/2-y,1/2+x,z
x,-y,z
1/2-x,1/2+y,-z
1/2+x,1/2+y,-z
-x,-y,z
1/2+y,1/2+x,z
-y,-x,-z
-y,x,-z
1/2+y,1/2-x,z
-x,y,z
1/2+x,1/2-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Bi 0.00000 0.50000 0.17100
O 0.00000 0.00000 0.00000
Cl 0.00000 0.50000 0.65000