#------------------------------------------------------------------------------
#$Date: 2018-06-13 05:31:11 +0200 (Wed 13 de Jun de 2018) $
#$Revision: 208311 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/03/1010312.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010312
loop_
_publ_author_name
'Sillen, L G'
_publ_section_title              'X-Ray Studies on Bismuth Trioxide'
_journal_coden_ASTM              ARKGAJ
_journal_issue                   18
_journal_name_full               'Arkiv foer Kemi, Mineralogi och Geologi, A'
_journal_page_first              1
_journal_page_last               15
_journal_volume                  12
_journal_year                    1938
_chemical_formula_structural     'Bi2 O3'
_chemical_formula_sum            'Bi2 O3'
_chemical_name_systematic        'Bismuth oxide'
_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'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.93
_cell_length_b                   10.93
_cell_length_c                   5.62
_cell_volume                     671.4
_cod_depositor_comments
;
 Updating space group information.

 2018-06-13,
 Antanas Vaitkus
;
_cod_database_code               1010312
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 -y,x,-z
4 y,-x,-z
5 -x,1/2+y,-z
6 y,1/2+x,z
7 x,1/2-y,-z
8 -y,1/2-x,z
9 1/2+x,1/2+y,z
10 1/2-x,1/2-y,z
11 1/2-y,1/2+x,-z
12 1/2+y,1/2-x,-z
13 1/2-x,y,-z
14 1/2+y,x,z
15 1/2+x,-y,-z
16 1/2-y,-x,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Bi1 Bi3+ 16 i 0.1362(12) 0.1138(12) 0.25 1. 0 d
O1 O2- 8 g 0.0224 0.25 0. 1. 0 d
O2 O2- 8 h 0.0224 0.25 0.5 1. 0 d
O3 O2- 4 c 0.25 0.25 0. 1. 0 d
O4 O2- 4 b 0. 0. 0.5 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Bi3+ 3.000
O2- -2.000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 141426
