The crystal structure described by UCrFe is Frank-Kasper $\mu$ Phase-derived structured and crystallizes in the orthorhombic Imma space group. U(1) is bonded in a 14-coordinate geometry to two equivalent U(1), six equivalent Cr(1), and six equivalent Fe(1) atoms. Cr(1) is bonded to six equivalent U(1), two equivalent Cr(1), and four equivalent Fe(1) atoms to form distorted CrU6Cr2Fe4 cuboctahedra that share corners with eight equivalent Fe(1)U6Cr4Fe2 cuboctahedra, corners with ten equivalent Cr(1)U6Cr2Fe4 cuboctahedra, edges with six equivalent Cr(1)U6Cr2Fe4 cuboctahedra, faces with six equivalent Cr(1)U6Cr2Fe4 cuboctahedra, and faces with twelve equivalent Fe(1)U6Cr4Fe2 cuboctahedra. Fe(1) is bonded to six equivalent U(1), four equivalent Cr(1), and two equivalent Fe(1) atoms to form FeU6Cr4Fe2 cuboctahedra that share corners with eight equivalent Cr(1)U6Cr2Fe4 cuboctahedra, corners with ten equivalent Fe(1)U6Cr4Fe2 cuboctahedra, edges with six equivalent Fe(1)U6Cr4Fe2 cuboctahedra, faces with six equivalent Fe(1)U6Cr4Fe2 cuboctahedra, and faces with twelve equivalent Cr(1)U6Cr2Fe4 cuboctahedra. is represented by the CIF file [CIF]
data_UCrFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.087
_cell_length_b   5.087
_cell_length_c   5.087
_cell_angle_alpha   128.347
_cell_angle_beta   118.714
_cell_angle_gamma   84.212
_symmetry_Int_Tables_number   1
_cell_volume   86.722
_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
  U  U0  1  0.112  0.862  0.250  1.0
  U  U1  1  0.888  0.138  0.750  1.0
  Cr  Cr2  1  0.500  0.500  0.500  1.0
  Cr  Cr3  1  0.500  0.000  0.000  1.0
  Fe  Fe4  1  0.500  0.500  0.000  1.0
  Fe  Fe5  1  0.000  0.500  0.500  1.0
[/CIF]
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The crystal structure described by UCrFe is Frank-Kasper $\mu$ Phase-derived structured and crystallizes in the orthorhombic Imma space group. U(1) is bonded in a 14-coordinate geometry to two equivalent U(1), six equivalent Cr(1), and six equivalent Fe(1) atoms. Cr(1) is bonded to six equivalent U(1), two equivalent Cr(1), and four equivalent Fe(1) atoms to form distorted CrU6Cr2Fe4 cuboctahedra that share corners with eight equivalent Fe(1)U6Cr4Fe2 cuboctahedra, corners with ten equivalent Cr(1)U6Cr2Fe4 cuboctahedra, edges with six equivalent Cr(1)U6Cr2Fe4 cuboctahedra, faces with six equivalent Cr(1)U6Cr2Fe4 cuboctahedra, and faces with twelve equivalent Fe(1)U6Cr4Fe2 cuboctahedra. Fe(1) is bonded to six equivalent U(1), four equivalent Cr(1), and two equivalent Fe(1) atoms to form FeU6Cr4Fe2 cuboctahedra that share corners with eight equivalent Cr(1)U6Cr2Fe4 cuboctahedra, corners with ten equivalent Fe(1)U6Cr4Fe2 cuboctahedra, edges with six equivalent Fe(1)U6Cr4Fe2 cuboctahedra, faces with six equivalent Fe(1)U6Cr4Fe2 cuboctahedra, and faces with twelve equivalent Cr(1)U6Cr2Fe4 cuboctahedra. is represented by the CIF file [CIF]
data_UCrFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.087
_cell_length_b   5.087
_cell_length_c   5.087
_cell_angle_alpha   128.347
_cell_angle_beta   118.714
_cell_angle_gamma   84.212
_symmetry_Int_Tables_number   1
_cell_volume   86.722
_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
  U  U0  1  0.112  0.862  0.250  1.0
  U  U1  1  0.888  0.138  0.750  1.0
  Cr  Cr2  1  0.500  0.500  0.500  1.0
  Cr  Cr3  1  0.500  0.000  0.000  1.0
  Fe  Fe4  1  0.500  0.500  0.000  1.0
  Fe  Fe5  1  0.000  0.500  0.500  1.0
[/CIF]
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