#------------------------------------------------------------------------------
#$Date: 2024-05-06 09:39:41 +0200 (Mon 06 de May de 2024) $
#$Revision: 291735 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/91/9009193.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_9009193
loop_
_publ_author_name
'Wyckoff, R. W. G.'
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              296
_journal_page_last               298
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     IOBr
_chemical_formula_sum            'Br I O'
_space_group_IT_number           59
_symmetry_space_group_name_Hall  'P 2 2ab -1ab'
_symmetry_space_group_name_H-M   'P m m n :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.049
_cell_length_b                   3.611
_cell_length_c                   8.649
_cell_volume                     126.457
_cell_formula_units_Z            2
_database_code_amcsd             0011872
_exptl_crystal_density_diffrn    5.852
_cod_original_sg_symbol_H-M      'P m m n'
_cod_original_formula_sum        'I O Br'
_cod_database_code               9009193
_amcsd_formula_title             IOBr
loop_
_space_group_symop_operation_xyz
x,y,z
x,-y,z
1/2-x,1/2+y,-z
-x,y,z
1/2+x,1/2-y,-z
1/2+x,1/2+y,-z
-x,-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
I 0.00000 0.50000 0.11300
O 0.00000 0.00000 -0.02000
Br 0.00000 0.00000 0.33600
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0011872
