#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/9/01/34/9013459.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_9013459
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_structural     Bi4O7
_chemical_formula_sum            'Bi O1.75'
_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                   15.50
_cell_length_b                   15.50
_cell_length_c                   5.64
_cell_formula_units_Z            16
_cell_volume                     1355.010
_database_code_amcsd             0015773
_exptl_crystal_density_diffrn    4.647
_cod_depositor_comments
;
 Adding the _space_group_symop_id data item that was accidentally left out in
 a previous revision.

 2018-07-17,
 Antanas Vaitkus

 Updating space group information.

 2018-06-13,
 Antanas Vaitkus
;
_cod_database_code               9013459
_amcsd_formula_title             Bi4O7
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_occupancy
Bi 0.13500 0.11500 0.25000 1.00000
O1 0.02000 0.25000 0.00000 1.00000
O2 0.02000 0.25000 0.50000 1.00000
O3 0.25000 0.25000 0.00000 1.00000
O4 0.00000 0.00000 0.50000 1.00000
O5 0.25000 0.25000 0.50000 0.50000
O6 0.00000 0.00000 0.00000 0.50000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015773
