# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Cr5B3'
_chemical_formula_sum 'B3 Cr5'

loop_
_publ_author_name
 'F. Bertaut'
 'P. Blum'
_journal_name_full_name
;
 Comptes Rendus Hebdomadaires des S{\'e}ances de l'Acad{\'e}mie des Sciences
;
_journal_volume 236
_journal_year 1953
_journal_page_first 1055
_journal_page_last 1056
_publ_Section_title
;
 {É}tude des borures de chrome
;

# Found in The American Mineralogist Crystal Structure Database, 2003

_aflow_title 'Cr$_{5}$B$_{3}$ ($D8_{l}$) Structure'
_aflow_proto 'A3B5_tI32_140_ah_cl'
_aflow_params 'a,c/a,x_{3},x_{4},z_{4}'
_aflow_params_values '5.46,1.91575091575,0.625,0.166,0.15'
_aflow_Strukturbericht '$D8_{l}$'
_aflow_Pearson 'tI32'

_symmetry_space_group_name_H-M "I 4/m 2/c 2/m"
_symmetry_Int_Tables_number 140
 
_cell_length_a    5.46000
_cell_length_b    5.46000
_cell_length_c    10.46000
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 90.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y,-z+1/2
3 -x,y,-z+1/2
4 -x,-y,z
5 -y,-x,-z+1/2
6 -y,x,z
7 y,-x,z
8 y,x,-z+1/2
9 -x,-y,-z
10 -x,y,z+1/2
11 x,-y,z+1/2
12 x,y,-z
13 y,x,z+1/2
14 y,-x,-z
15 -y,x,-z
16 -y,-x,z+1/2
17 x+1/2,y+1/2,z+1/2
18 x+1/2,-y+1/2,-z
19 -x+1/2,y+1/2,-z
20 -x+1/2,-y+1/2,z+1/2
21 -y+1/2,-x+1/2,-z
22 -y+1/2,x+1/2,z+1/2
23 y+1/2,-x+1/2,z+1/2
24 y+1/2,x+1/2,-z
25 -x+1/2,-y+1/2,-z+1/2
26 -x+1/2,y+1/2,z
27 x+1/2,-y+1/2,z
28 x+1/2,y+1/2,-z+1/2
29 y+1/2,x+1/2,z
30 y+1/2,-x+1/2,-z+1/2
31 -y+1/2,x+1/2,-z+1/2
32 -y+1/2,-x+1/2,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
B1  B    4 a 0.00000 0.00000 0.25000 1.00000
Cr1 Cr   4 c 0.00000 0.00000 0.00000 1.00000
B2  B    8 h 0.62500 0.12500 0.00000 1.00000
Cr2 Cr  16 l 0.16600 0.66600 0.15000 1.00000
