The material structure described by CrFe3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Cr(1) is bonded to twelve equivalent Fe(1) atoms to form CrFe12 cuboctahedra that share corners with twelve equivalent Cr(1)Fe12 cuboctahedra, edges with twenty-four equivalent Fe(1)Cr4Fe8 cuboctahedra, faces with six equivalent Cr(1)Fe12 cuboctahedra, and faces with twelve equivalent Fe(1)Cr4Fe8 cuboctahedra. Fe(1) is bonded to four equivalent Cr(1) and eight equivalent Fe(1) atoms to form FeCr4Fe8 cuboctahedra that share corners with twelve equivalent Fe(1)Cr4Fe8 cuboctahedra, edges with eight equivalent Cr(1)Fe12 cuboctahedra, edges with sixteen equivalent Fe(1)Cr4Fe8 cuboctahedra, faces with four equivalent Cr(1)Fe12 cuboctahedra, and faces with fourteen equivalent Fe(1)Cr4Fe8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.564
_cell_length_b   3.564
_cell_length_c   3.564
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   45.271
_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  0.000  0.500  0.500  1.0
  Fe  Fe2  1  0.500  0.500  0.000  1.0
  Fe  Fe3  1  0.500  0.000  0.500  1.0
[/CIF]
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The material structure described by CrFe3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Cr(1) is bonded to twelve equivalent Fe(1) atoms to form CrFe12 cuboctahedra that share corners with twelve equivalent Cr(1)Fe12 cuboctahedra, edges with twenty-four equivalent Fe(1)Cr4Fe8 cuboctahedra, faces with six equivalent Cr(1)Fe12 cuboctahedra, and faces with twelve equivalent Fe(1)Cr4Fe8 cuboctahedra. Fe(1) is bonded to four equivalent Cr(1) and eight equivalent Fe(1) atoms to form FeCr4Fe8 cuboctahedra that share corners with twelve equivalent Fe(1)Cr4Fe8 cuboctahedra, edges with eight equivalent Cr(1)Fe12 cuboctahedra, edges with sixteen equivalent Fe(1)Cr4Fe8 cuboctahedra, faces with four equivalent Cr(1)Fe12 cuboctahedra, and faces with fourteen equivalent Fe(1)Cr4Fe8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.564
_cell_length_b   3.564
_cell_length_c   3.564
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   45.271
_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  0.000  0.500  0.500  1.0
  Fe  Fe2  1  0.500  0.500  0.000  1.0
  Fe  Fe3  1  0.500  0.000  0.500  1.0
[/CIF]
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