#------------------------------------------------------------------------------
#$Date: 2024-05-02 11:48:35 +0100 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/77/9007723.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_9007723
loop_
_publ_author_name
'Blower, S. K.'
'Greaves, C.'
_publ_section_title
;
 The structure of beta-Bi2O3 from powder neutron diffraction data
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              587
_journal_page_last               589
_journal_paper_doi               10.1107/S0108270187011661
_journal_volume                  44
_journal_year                    1988
_chemical_compound_source        Synthetic
_chemical_formula_structural     Bi2O3
_chemical_formula_sum            'Bi2 O3'
_chemical_name_mineral           Sphaerobismoite
_space_group_IT_number           114
_symmetry_space_group_name_Hall  'P -4 2n'
_symmetry_space_group_name_H-M   'P -4 21 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.739
_cell_length_b                   7.739
_cell_length_c                   5.636
_cell_formula_units_Z            4
_cell_volume                     337.552
_database_code_amcsd             0010069
_exptl_crystal_density_diffrn    9.169
_cod_database_code               9007723
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-y,1/2-x,1/2+z
y,-x,-z
1/2-x,1/2+y,1/2-z
-x,-y,z
1/2+y,1/2+x,1/2+z
-y,x,-z
1/2+x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Bi 0.01740 0.25450 0.23850 0.01406
O1 0.29050 0.31250 0.02860 0.02166
O2 0.00000 0.50000 0.39390 0.01608
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 141426
2 AMCSD 0010069