data_1511237
_publ_section_title
;
 The borides of manganese
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              146
_journal_page_last               159
_journal_paper_doi               10.3891/acta.chem.scand.04-0146
_journal_volume                  4
_journal_year                    1950
_chemical_formula_sum            'B Mn2'
_chemical_name_systematic        'Mn2 B'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.148
_cell_length_b                   5.148
_cell_length_c                   4.208
_cell_volume                     111.520
_citation_journal_id_ASTM        ACSAA4
_[local]_cod_data_source_file    boron0-1_356.cif
_[local]_cod_data_source_block   B1Mn2
_[local]_cod_chemical_formula_sum_orig 'B1 Mn2'
_cod_original_cell_volume        111.52
_cod_database_code               1511237
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z+1/2
y,x,-z+1/2
-x,y,-z+1/2
-y,-x,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z-1/2
-y,-x,z-1/2
x,-y,z-1/2
y,x,z-1/2
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1
y+1/2,x+1/2,-z+1
-x+1/2,y+1/2,-z+1
-y+1/2,-x+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,z
y+1/2,x+1/2,z
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
Mn1 Mn 0.163 0.663 0 1 0.0
B1 B 0 0 0.25 1 0.0
