The material described by FeBCrB crystallizes in the orthorhombic Pmc2_1 space group. Cr(1) is bonded in a 7-coordinate geometry to three equivalent B(1) and four equivalent B(2) atoms. Fe(1) is bonded in a 7-coordinate geometry to three equivalent B(2) and four equivalent B(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to three equivalent Cr(1), four equivalent Fe(1), and two equivalent B(2) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Cr(1), three equivalent Fe(1), and two equivalent B(1) atoms. is represented by the CIF file [CIF]
data_CrFeB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.938
_cell_length_b   4.113
_cell_length_c   5.491
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   66.347
_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
  Cr  Cr0  1  0.000  0.126  0.680  1.0
  Cr  Cr1  1  0.000  0.874  0.180  1.0
  Fe  Fe2  1  0.500  0.364  0.321  1.0
  Fe  Fe3  1  0.500  0.636  0.821  1.0
  B  B4  1  0.000  0.628  0.534  1.0
  B  B5  1  0.000  0.372  0.034  1.0
  B  B6  1  0.500  0.856  0.465  1.0
  B  B7  1  0.500  0.144  0.965  1.0
[/CIF]
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The material described by FeBCrB crystallizes in the orthorhombic Pmc2_1 space group. Cr(1) is bonded in a 7-coordinate geometry to three equivalent B(1) and four equivalent B(2) atoms. Fe(1) is bonded in a 7-coordinate geometry to three equivalent B(2) and four equivalent B(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to three equivalent Cr(1), four equivalent Fe(1), and two equivalent B(2) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Cr(1), three equivalent Fe(1), and two equivalent B(1) atoms. is represented by the CIF file [CIF]
data_CrFeB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.938
_cell_length_b   4.113
_cell_length_c   5.491
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   66.347
_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
  Cr  Cr0  1  0.000  0.126  0.680  1.0
  Cr  Cr1  1  0.000  0.874  0.180  1.0
  Fe  Fe2  1  0.500  0.364  0.321  1.0
  Fe  Fe3  1  0.500  0.636  0.821  1.0
  B  B4  1  0.000  0.628  0.534  1.0
  B  B5  1  0.000  0.372  0.034  1.0
  B  B6  1  0.500  0.856  0.465  1.0
  B  B7  1  0.500  0.144  0.965  1.0
[/CIF]
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