#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/54/00/1540059.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_1540059
loop_
_publ_author_name
'Harwig, H.A.'
_publ_section_title
;
 On the structure of bismuthsesquioxide: the alpha, beta, gamma and delta
 phase
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              151
_journal_page_last               166
_journal_volume                  444
_journal_year                    1978
_chemical_formula_sum            'Bi2 O3'
_space_group_IT_number           197
_symmetry_space_group_name_Hall  'I 2 2 3'
_symmetry_space_group_name_H-M   'I 2 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            13
_cell_length_a                   10.268
_cell_length_b                   10.268
_cell_length_c                   10.268
_cell_volume                     1082.574
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Harwig_ZAACAB_1978_470.cif
_cod_data_source_block           Bi2O3
_cod_database_code               1540059
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
z,x,y
-z,-x,y
z,-x,-y
-z,x,-y
y,z,x
y,-z,-x
-y,z,-x
-y,-z,x
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
z+1/2,x+1/2,y+1/2
-z+1/2,-x+1/2,y+1/2
z+1/2,-x+1/2,-y+1/2
-z+1/2,x+1/2,-y+1/2
y+1/2,z+1/2,x+1/2
y+1/2,-z+1/2,-x+1/2
-y+1/2,z+1/2,-x+1/2
-y+1/2,-z+1/2,x+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Bi2 Bi+3 0.858 0.687 0.972 1 0.0
O2 O-2 0.148 0.148 0.148 0.975 0.0
O1 O-2 0.716 0.716 0.716 0.975 0.0
Bi1 Bi+3 0 0 0 1 0.0
O3 O-2 0.921 0.738 0.514 0.975 0.0
