The material described by MoFe2B4 crystallizes in the orthorhombic Immm space group. Mo(1) is bonded in a 12-coordinate geometry to four equivalent B(2) and eight equivalent B(1) atoms. Fe(1) is bonded in a 7-coordinate geometry to two equivalent B(1) and five equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Mo(1), two equivalent Fe(1), one B(1), and two equivalent B(2) atoms. In the second B site, B(2) is bonded in a 7-coordinate geometry to two equivalent Mo(1), five equivalent Fe(1), and two equivalent B(1) atoms. is represented by the CIF file [CIF]
data_Fe2B4Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.656
_cell_length_b   6.656
_cell_length_c   6.656
_cell_angle_alpha   154.065
_cell_angle_beta   153.080
_cell_angle_gamma   37.727
_symmetry_Int_Tables_number   1
_cell_volume   58.296
_cell_formula_units_Z   1
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  0.816  0.816  0.000  1.0
  Fe  Fe1  1  0.184  0.184  0.000  1.0
  B  B2  1  0.426  0.926  0.500  1.0
  B  B3  1  0.574  0.074  0.500  1.0
  B  B4  1  0.348  0.348  0.000  1.0
  B  B5  1  0.652  0.652  0.000  1.0
  Mo  Mo6  1  0.000  0.500  0.500  1.0
[/CIF]
.
The material described by MoFe2B4 crystallizes in the orthorhombic Immm space group. Mo(1) is bonded in a 12-coordinate geometry to four equivalent B(2) and eight equivalent B(1) atoms. Fe(1) is bonded in a 7-coordinate geometry to two equivalent B(1) and five equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Mo(1), two equivalent Fe(1), one B(1), and two equivalent B(2) atoms. In the second B site, B(2) is bonded in a 7-coordinate geometry to two equivalent Mo(1), five equivalent Fe(1), and two equivalent B(1) atoms. is represented by the CIF file [CIF]
data_Fe2B4Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.656
_cell_length_b   6.656
_cell_length_c   6.656
_cell_angle_alpha   154.065
_cell_angle_beta   153.080
_cell_angle_gamma   37.727
_symmetry_Int_Tables_number   1
_cell_volume   58.296
_cell_formula_units_Z   1
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  0.816  0.816  0.000  1.0
  Fe  Fe1  1  0.184  0.184  0.000  1.0
  B  B2  1  0.426  0.926  0.500  1.0
  B  B3  1  0.574  0.074  0.500  1.0
  B  B4  1  0.348  0.348  0.000  1.0
  B  B5  1  0.652  0.652  0.000  1.0
  Mo  Mo6  1  0.000  0.500  0.500  1.0
[/CIF]
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