The compound described by CeFeCu is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. Ce(1) is bonded in a 12-coordinate geometry to six equivalent Fe(1) and six equivalent Cu(1) atoms. Fe(1) is bonded to six equivalent Ce(1), two equivalent Fe(1), and four equivalent Cu(1) atoms to form FeCe6Fe2Cu4 cuboctahedra that share corners with eight equivalent Cu(1)Ce6Fe4Cu2 cuboctahedra, corners with ten equivalent Fe(1)Ce6Fe2Cu4 cuboctahedra, edges with six equivalent Fe(1)Ce6Fe2Cu4 cuboctahedra, faces with six equivalent Fe(1)Ce6Fe2Cu4 cuboctahedra, and faces with twelve equivalent Cu(1)Ce6Fe4Cu2 cuboctahedra. Cu(1) is bonded to six equivalent Ce(1), four equivalent Fe(1), and two equivalent Cu(1) atoms to form CuCe6Fe4Cu2 cuboctahedra that share corners with eight equivalent Fe(1)Ce6Fe2Cu4 cuboctahedra, corners with ten equivalent Cu(1)Ce6Fe4Cu2 cuboctahedra, edges with six equivalent Cu(1)Ce6Fe4Cu2 cuboctahedra, faces with six equivalent Cu(1)Ce6Fe4Cu2 cuboctahedra, and faces with twelve equivalent Fe(1)Ce6Fe2Cu4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeFeCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.212
_cell_length_b   5.212
_cell_length_c   5.212
_cell_angle_alpha   93.141
_cell_angle_beta   56.166
_cell_angle_gamma   119.868
_symmetry_Int_Tables_number   1
_cell_volume   96.995
_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
  Ce  Ce0  1  0.500  0.758  0.742  1.0
  Ce  Ce1  1  0.000  0.992  0.008  1.0
  Fe  Fe2  1  0.250  0.875  0.375  1.0
  Fe  Fe3  1  0.750  0.375  0.375  1.0
  Cu  Cu4  1  0.750  0.375  0.875  1.0
  Cu  Cu5  1  0.250  0.375  0.375  1.0
[/CIF]
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The compound described by CeFeCu is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. Ce(1) is bonded in a 12-coordinate geometry to six equivalent Fe(1) and six equivalent Cu(1) atoms. Fe(1) is bonded to six equivalent Ce(1), two equivalent Fe(1), and four equivalent Cu(1) atoms to form FeCe6Fe2Cu4 cuboctahedra that share corners with eight equivalent Cu(1)Ce6Fe4Cu2 cuboctahedra, corners with ten equivalent Fe(1)Ce6Fe2Cu4 cuboctahedra, edges with six equivalent Fe(1)Ce6Fe2Cu4 cuboctahedra, faces with six equivalent Fe(1)Ce6Fe2Cu4 cuboctahedra, and faces with twelve equivalent Cu(1)Ce6Fe4Cu2 cuboctahedra. Cu(1) is bonded to six equivalent Ce(1), four equivalent Fe(1), and two equivalent Cu(1) atoms to form CuCe6Fe4Cu2 cuboctahedra that share corners with eight equivalent Fe(1)Ce6Fe2Cu4 cuboctahedra, corners with ten equivalent Cu(1)Ce6Fe4Cu2 cuboctahedra, edges with six equivalent Cu(1)Ce6Fe4Cu2 cuboctahedra, faces with six equivalent Cu(1)Ce6Fe4Cu2 cuboctahedra, and faces with twelve equivalent Fe(1)Ce6Fe2Cu4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeFeCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.212
_cell_length_b   5.212
_cell_length_c   5.212
_cell_angle_alpha   93.141
_cell_angle_beta   56.166
_cell_angle_gamma   119.868
_symmetry_Int_Tables_number   1
_cell_volume   96.995
_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
  Ce  Ce0  1  0.500  0.758  0.742  1.0
  Ce  Ce1  1  0.000  0.992  0.008  1.0
  Fe  Fe2  1  0.250  0.875  0.375  1.0
  Fe  Fe3  1  0.750  0.375  0.375  1.0
  Cu  Cu4  1  0.750  0.375  0.875  1.0
  Cu  Cu5  1  0.250  0.375  0.375  1.0
[/CIF]
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