The structure described by FeB4 crystallizes in the orthorhombic Pnnm space group. Fe(1) is bonded to six equivalent B(1) and six equivalent B(2) atoms to form a mixture of edge and face-sharing FeB12 cuboctahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 8-coordinate geometry to three equivalent Fe(1), one B(1), and four equivalent B(2) atoms. In the second B site, B(2) is bonded in a 7-coordinate geometry to three equivalent Fe(1) and four equivalent B(1) atoms. is represented by the CIF file [CIF]
data_FeB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.997
_cell_length_b   4.510
_cell_length_c   5.250
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   70.964
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe0  1  0.000  0.500  0.000  1.0
  Fe  Fe1  1  0.500  0.000  0.500  1.0
  B  B2  1  0.500  0.163  0.873  1.0
  B  B3  1  0.500  0.837  0.127  1.0
  B  B4  1  0.000  0.663  0.627  1.0
  B  B5  1  0.000  0.337  0.373  1.0
  B  B6  1  0.500  0.752  0.813  1.0
  B  B7  1  0.500  0.248  0.187  1.0
  B  B8  1  0.000  0.252  0.687  1.0
  B  B9  1  0.000  0.748  0.313  1.0
[/CIF]
.
The structure described by FeB4 crystallizes in the orthorhombic Pnnm space group. Fe(1) is bonded to six equivalent B(1) and six equivalent B(2) atoms to form a mixture of edge and face-sharing FeB12 cuboctahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 8-coordinate geometry to three equivalent Fe(1), one B(1), and four equivalent B(2) atoms. In the second B site, B(2) is bonded in a 7-coordinate geometry to three equivalent Fe(1) and four equivalent B(1) atoms. is represented by the CIF file [CIF]
data_FeB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.997
_cell_length_b   4.510
_cell_length_c   5.250
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   70.964
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe0  1  0.000  0.500  0.000  1.0
  Fe  Fe1  1  0.500  0.000  0.500  1.0
  B  B2  1  0.500  0.163  0.873  1.0
  B  B3  1  0.500  0.837  0.127  1.0
  B  B4  1  0.000  0.663  0.627  1.0
  B  B5  1  0.000  0.337  0.373  1.0
  B  B6  1  0.500  0.752  0.813  1.0
  B  B7  1  0.500  0.248  0.187  1.0
  B  B8  1  0.000  0.252  0.687  1.0
  B  B9  1  0.000  0.748  0.313  1.0
[/CIF]
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