The crystal structure described by Ce3Cu is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to four equivalent Ce(1), four equivalent Ce(2), and four equivalent Cu(1) atoms to form distorted CeCe8Cu4 cuboctahedra that share corners with twelve equivalent Ce(1)Ce8Cu4 cuboctahedra, edges with eight equivalent Ce(1)Ce8Cu4 cuboctahedra, edges with eight equivalent Cu(1)Ce12 cuboctahedra, faces with four equivalent Cu(1)Ce12 cuboctahedra, and faces with ten equivalent Ce(1)Ce8Cu4 cuboctahedra. In the second Ce site, Ce(2) is bonded in a distorted square co-planar geometry to eight equivalent Ce(1) and four equivalent Cu(1) atoms. Cu(1) is bonded to four equivalent Ce(2) and eight equivalent Ce(1) atoms to form CuCe12 cuboctahedra that share corners with four equivalent Cu(1)Ce12 cuboctahedra, edges with eight equivalent Cu(1)Ce12 cuboctahedra, edges with sixteen equivalent Ce(1)Ce8Cu4 cuboctahedra, faces with four equivalent Cu(1)Ce12 cuboctahedra, and faces with eight equivalent Ce(1)Ce8Cu4 cuboctahedra. is represented by the CIF file [CIF]
data_Ce3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.654
_cell_length_b   5.654
_cell_length_c   5.654
_cell_angle_alpha   133.546
_cell_angle_beta   133.546
_cell_angle_gamma   67.799
_symmetry_Int_Tables_number   1
_cell_volume   93.341
_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
  Ce  Ce0  1  0.750  0.250  0.500  1.0
  Ce  Ce1  1  0.250  0.750  0.500  1.0
  Ce  Ce2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Ce3Cu is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to four equivalent Ce(1), four equivalent Ce(2), and four equivalent Cu(1) atoms to form distorted CeCe8Cu4 cuboctahedra that share corners with twelve equivalent Ce(1)Ce8Cu4 cuboctahedra, edges with eight equivalent Ce(1)Ce8Cu4 cuboctahedra, edges with eight equivalent Cu(1)Ce12 cuboctahedra, faces with four equivalent Cu(1)Ce12 cuboctahedra, and faces with ten equivalent Ce(1)Ce8Cu4 cuboctahedra. In the second Ce site, Ce(2) is bonded in a distorted square co-planar geometry to eight equivalent Ce(1) and four equivalent Cu(1) atoms. Cu(1) is bonded to four equivalent Ce(2) and eight equivalent Ce(1) atoms to form CuCe12 cuboctahedra that share corners with four equivalent Cu(1)Ce12 cuboctahedra, edges with eight equivalent Cu(1)Ce12 cuboctahedra, edges with sixteen equivalent Ce(1)Ce8Cu4 cuboctahedra, faces with four equivalent Cu(1)Ce12 cuboctahedra, and faces with eight equivalent Ce(1)Ce8Cu4 cuboctahedra. is represented by the CIF file [CIF]
data_Ce3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.654
_cell_length_b   5.654
_cell_length_c   5.654
_cell_angle_alpha   133.546
_cell_angle_beta   133.546
_cell_angle_gamma   67.799
_symmetry_Int_Tables_number   1
_cell_volume   93.341
_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
  Ce  Ce0  1  0.750  0.250  0.500  1.0
  Ce  Ce1  1  0.250  0.750  0.500  1.0
  Ce  Ce2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
[/CIF]
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