The material described by CrFe4 crystallizes in the orthorhombic Fmmm space group. Cr(1) is bonded in a 8-coordinate geometry to four equivalent Cr(1) and four equivalent Fe(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to two equivalent Cr(1) and two equivalent Fe(2) atoms. In the second Fe site, Fe(2) is bonded in a distorted body-centered cubic geometry to two equivalent Fe(1) and six equivalent Fe(2) atoms. is represented by the CIF card [CIF]
data_CrFe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.252
_cell_length_b   10.156
_cell_length_c   2.454
_cell_angle_alpha   85.323
_cell_angle_beta   80.877
_cell_angle_gamma   13.800
_symmetry_Int_Tables_number   1
_cell_volume   57.252
_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
  Cr  Cr0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.400  0.400  0.600  1.0
  Fe  Fe2  1  0.800  0.800  0.200  1.0
  Fe  Fe3  1  0.200  0.200  0.800  1.0
  Fe  Fe4  1  0.600  0.600  0.400  1.0
[/CIF]
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The material described by CrFe4 crystallizes in the orthorhombic Fmmm space group. Cr(1) is bonded in a 8-coordinate geometry to four equivalent Cr(1) and four equivalent Fe(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to two equivalent Cr(1) and two equivalent Fe(2) atoms. In the second Fe site, Fe(2) is bonded in a distorted body-centered cubic geometry to two equivalent Fe(1) and six equivalent Fe(2) atoms. is represented by the CIF card [CIF]
data_CrFe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.252
_cell_length_b   10.156
_cell_length_c   2.454
_cell_angle_alpha   85.323
_cell_angle_beta   80.877
_cell_angle_gamma   13.800
_symmetry_Int_Tables_number   1
_cell_volume   57.252
_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
  Cr  Cr0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.400  0.400  0.600  1.0
  Fe  Fe2  1  0.800  0.800  0.200  1.0
  Fe  Fe3  1  0.200  0.200  0.800  1.0
  Fe  Fe4  1  0.600  0.600  0.400  1.0
[/CIF]
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