#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/9/01/23/9012328.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_9012328
loop_
_publ_author_name
'Gattow, G.'
'Schutze, D.'
_publ_section_title
;
 Uber Wismutoxide. VI. Uber ein Wismut(III)-oxid mit hoherem sauerstoffgehalt
 (beta-modifikation)
;
_journal_name_full
'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_page_first              44
_journal_page_last               68
_journal_paper_doi               10.1002/zaac.19643280106
_journal_volume                  328
_journal_year                    1964
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi2 O3'
_chemical_name_mineral           Sphaerobismoite
_space_group_crystal_system      tetragonal
_space_group_IT_number           117
_space_group_name_Hall           'P -4 -2ab (1/2*x+1/2*y,-1/2*x+1/2*y,z)'
_space_group_name_H-M_alt        'C -4 2 b'
_symmetry_space_group_name_H-M   'C -4 2 b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.95
_cell_length_b                   10.95
_cell_length_c                   5.63
_cell_formula_units_Z            8
_cell_volume                     675.051
_database_code_amcsd             0015772
_exptl_crystal_density_diffrn    9.170
_cod_depositor_comments
;
 Updating space group information.

 2018-06-13,
 Antanas Vaitkus
;
_cod_database_code               9012328
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 1/2+x,1/2+y,z
3 1/2+y,x,z
4 +y,1/2+x,z
5 1/2-x,y,-z
6 -x,1/2+y,-z
7 1/2-y,-x,z
8 -y,1/2-x,z
9 1/2+x,-y,-z
10 +x,1/2-y,-z
11 y,-x,-z
12 1/2+y,1/2-x,-z
13 -x,-y,z
14 1/2-x,1/2-y,z
15 -y,x,-z
16 1/2-y,1/2+x,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Bi 0.13500 0.11500 0.25000 0.05699
O1 0.02000 0.25000 0.00000 0.05699
O2 0.02000 0.25000 0.50000 0.05699
O3 0.25000 0.25000 0.00000 0.05699
O4 0.00000 0.00000 0.50000 0.05699
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 141426
2 AMCSD 0015772
