# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Bi2O3'
_chemical_formula_sum 'Bi2 O3'

loop_
_publ_author_name
 'T. Locherer'
 'D. L. V. K. Prasad'
 'R. Dinnebier'
 'U. Wedig'
 'M. Jansen'
 'G. Garbarino'
 'T. Hansen'
_journal_name_full_name
;
 Physical Review B
;
_journal_volume 83
_journal_year 2011
_journal_page_first 214102
_journal_page_last 214102
_publ_Section_title
;
 High-pressure structural evolution of HP-Bi$_{2}$O$_{3}$
;

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

_aflow_title 'Bi$_{2}$O$_{3}$ (High-pressure) Structure'
_aflow_proto 'A2B3_hP20_159_bc_2c'
_aflow_params 'a,c/a,z_{1},x_{2},y_{2},z_{2},x_{3},y_{3},z_{3},x_{4},y_{4},z_{4}'
_aflow_params_values '7.7488577892,0.813266227893,0.0,0.337,0.154,0.021,0.451,0.061,0.287,0.149,0.282,0.083'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'hP20'

_cell_length_a    7.7488577892
_cell_length_b    7.7488577892
_cell_length_c    6.3018843447
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 120.0000000000
 
_symmetry_space_group_name_H-M "P 3 1 c"
_symmetry_Int_Tables_number 159
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 -x,-x+y,z+1/2
5 x-y,-y,z+1/2
6 y,x,z+1/2
 
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
Bi1 Bi   2 b 0.33333 0.66667 0.00000 1.00000
Bi2 Bi   6 c 0.33700 0.15400 0.02100 1.00000
O1  O    6 c 0.45100 0.06100 0.28700 1.00000
O2  O    6 c 0.14900 0.28200 0.08300 1.00000
