# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'beta-Bi2O3'
_chemical_formula_sum 'Bi2 O3'

loop_
_publ_author_name
 'L. G. Sill{\\'e}n'
_journal_name_full_name
;
 Arkiv f{\"o}r Kemi, Mineralogi och Geologi
;
_journal_volume 12A
_journal_year 1937
_journal_page_first 1
_journal_page_last 15
_publ_Section_title
;
 X-ray studies on bismuth trioxide
;

# Found in Pearson's Crystal Data - Crystal Structure Database for Inorganic Compounds, 2013

_aflow_title '$\beta$-Bi$_{2}$O$_{3}$ (High-temperature, $D5_{12}$) Structure'
_aflow_proto 'A2B3_tP20_117_i_adgh'
_aflow_params 'a,c/a,x_{3},x_{4},x_{5},y_{5},z_{5}'
_aflow_params_values '7.7289660931,0.727131582349,0.73,0.73,0.75,0.52,0.25'
_aflow_Strukturbericht '$D5_{12}$'
_aflow_Pearson 'tP20'

_cell_length_a    7.7289660931
_cell_length_b    7.7289660931
_cell_length_c    5.6199753452
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P -4 b 2"
_symmetry_Int_Tables_number 117
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 -y+1/2,-x+1/2,-z
4 y+1/2,x+1/2,-z
5 -x+1/2,y+1/2,z
6 x+1/2,-y+1/2,z
7 y,-x,-z
8 -y,x,-z
 
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
O1  O    2 a 0.00000 0.00000 0.00000 1.00000
O2  O    2 d 0.00000 0.50000 0.50000 1.00000
O3  O    4 g 0.73000 0.23000 0.00000 1.00000
O4  O    4 h 0.73000 0.23000 0.50000 1.00000
Bi1 Bi   8 i 0.75000 0.52000 0.25000 1.00000
