#------------------------------------------------------------------------------
#$Date: 2024-05-06 08:39:41 +0100 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/97/9009765.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_9009765
loop_
_publ_author_name
'Kumada, N.'
'Kinomura, N.'
'Woodward, P. M.'
'Sleight, A. W.'
_publ_section_title
;
 Crystal structure of Bi2O4 with beta-Sb2O4-type structure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              281
_journal_page_last               285
_journal_paper_doi               10.1006/jssc.1995.1214
_journal_volume                  116
_journal_year                    1995
_chemical_formula_structural     Bi2O4
_chemical_formula_sum            'Bi O2'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.838
_cell_angle_gamma                90
_cell_length_a                   12.3668
_cell_length_b                   5.1180
_cell_length_c                   5.5670
_cell_formula_units_Z            8
_cell_volume                     335.415
_database_code_amcsd             0013863
_exptl_crystal_density_diffrn    9.544
_cod_database_code               9009765
_amcsd_formula_title             Bi2O4
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-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
_atom_site_U_iso_or_equiv
Bi5+ 0.25000 0.25000 0.00000 0.00760
Bi3+ 0.00000 0.26800 0.25000 0.01520
O1 0.17870 0.06300 0.65200 0.01900
O2 0.09330 0.41600 0.97300 0.01646
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0013863