# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Mn2B'
_chemical_formula_sum 'B Mn2'

loop_
_publ_author_name
 'L.-E. Tergenius'
_journal_name_full_name
;
 Journal of the Less-Common Metals
;
_journal_volume 82
_journal_year 1981
_journal_page_first 335
_journal_page_last 340
_publ_Section_title
;
 Refinement of the crystal structure of orthorhombic Mn$_{2}$B (formerly denoted Mn$_{4}$B)
;

_aflow_title 'Mn$_{2}$B ($D1_{f}$) Structure'
_aflow_proto 'AB2_oF48_70_f_fg'
_aflow_params 'a,b/a,c/a,y_{1},y_{2},z_{3}'
_aflow_params_values '4.2082,3.45504015969,1.7326647973,0.2495,0.54337,0.29445'
_aflow_Strukturbericht '$D1_{f}$'
_aflow_Pearson 'oF48'

_symmetry_space_group_name_H-M "F 2/d 2/d 2/d (origin choice 2)"
_symmetry_Int_Tables_number 70
 
_cell_length_a    4.20820
_cell_length_b    14.53950
_cell_length_c    7.29140
_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+3/4,-z+3/4
3 -x+3/4,y,-z+3/4
4 -x+3/4,-y+3/4,z
5 -x,-y,-z
6 -x,y+1/4,z+1/4
7 x+1/4,-y,z+1/4
8 x+1/4,y+1/4,-z
9 x,y+1/2,z+1/2
10 x,-y+1/4,-z+1/4
11 -x+3/4,y+1/2,-z+1/4
12 -x+3/4,-y+1/4,z+1/2
13 -x,-y+1/2,-z+1/2
14 -x,y+3/4,z+3/4
15 x+1/4,-y+1/2,z+3/4
16 x+1/4,y+3/4,-z+1/2
17 x+1/2,y,z+1/2
18 x+1/2,-y+3/4,-z+1/4
19 -x+1/4,y,-z+1/4
20 -x+1/4,-y+3/4,z+1/2
21 -x+1/2,-y,-z+1/2
22 -x+1/2,y+1/4,z+3/4
23 x+3/4,-y,z+3/4
24 x+3/4,y+1/4,-z+1/2
25 x+1/2,y+1/2,z
26 x+1/2,-y+1/4,-z+3/4
27 -x+1/4,y+1/2,-z+3/4
28 -x+1/4,-y+1/4,z
29 -x+1/2,-y+1/2,-z
30 -x+1/2,y+3/4,z+1/4
31 x+3/4,-y+1/2,z+1/4
32 x+3/4,y+3/4,-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   16 f 0.12500 0.24950 0.12500 1.00000
Mn1 Mn  16 f 0.12500 0.54337 0.12500 1.00000
Mn2 Mn  16 g 0.12500 0.12500 0.29445 1.00000
