data_1011336
_publ_section_title
;
 The crystal structure of Fe2P, Fe2N, Fe3N and FeB
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              511
_journal_page_last               533
_journal_volume                  74
_journal_year                    1930
_chemical_formula_structural     'Fe B'
_chemical_formula_sum            'B Fe'
_chemical_name_systematic        'Iron boride (1/1)'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.053
_cell_length_b                   5.495
_cell_length_c                   2.946
_cell_volume                     65.6
_exptl_crystal_density_diffrn    6.748
_cod_database_code               1011336
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2-z
-x,-y,1/2+z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2+y,1/2+z
x,y,1/2-z
1/2+x,1/2-y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Fe1 Fe3+ 4 c 0.115 0.175 0.25 1. 0 d
B1 B3- 4 c 0.7 -0.13 0.25 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Fe3+ 3.000
B3- -3.000
