The structure described by Mo2FeB2 crystallizes in the tetragonal P4/mbm space group. Mo(1) is bonded in a 8-coordinate geometry to two equivalent Fe(1) and six equivalent B(1) atoms. Fe(1) is bonded in a distorted square co-planar geometry to four equivalent Mo(1) and eight equivalent B(1) atoms. B(1) is bonded in a 10-coordinate geometry to six equivalent Mo(1) and four equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_Fe(BMo)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.395
_cell_length_b   6.395
_cell_length_c   2.820
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   115.337
_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  0.500  0.500  0.000  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  B  B2  1  0.342  0.842  0.500  1.0
  B  B3  1  0.658  0.158  0.500  1.0
  B  B4  1  0.842  0.658  0.500  1.0
  B  B5  1  0.158  0.342  0.500  1.0
  Mo  Mo6  1  0.642  0.858  0.000  1.0
  Mo  Mo7  1  0.358  0.142  0.000  1.0
  Mo  Mo8  1  0.858  0.358  0.000  1.0
  Mo  Mo9  1  0.142  0.642  0.000  1.0
[/CIF]
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The structure described by Mo2FeB2 crystallizes in the tetragonal P4/mbm space group. Mo(1) is bonded in a 8-coordinate geometry to two equivalent Fe(1) and six equivalent B(1) atoms. Fe(1) is bonded in a distorted square co-planar geometry to four equivalent Mo(1) and eight equivalent B(1) atoms. B(1) is bonded in a 10-coordinate geometry to six equivalent Mo(1) and four equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_Fe(BMo)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.395
_cell_length_b   6.395
_cell_length_c   2.820
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   115.337
_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  0.500  0.500  0.000  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  B  B2  1  0.342  0.842  0.500  1.0
  B  B3  1  0.658  0.158  0.500  1.0
  B  B4  1  0.842  0.658  0.500  1.0
  B  B5  1  0.158  0.342  0.500  1.0
  Mo  Mo6  1  0.642  0.858  0.000  1.0
  Mo  Mo7  1  0.358  0.142  0.000  1.0
  Mo  Mo8  1  0.858  0.358  0.000  1.0
  Mo  Mo9  1  0.142  0.642  0.000  1.0
[/CIF]
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