The material structure described by Co3Cu is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to four equivalent Co(1), four equivalent Co(2), and four equivalent Cu(1) atoms to form CoCo8Cu4 cuboctahedra that share corners with twelve equivalent Co(1)Co8Cu4 cuboctahedra, edges with eight equivalent Co(1)Co8Cu4 cuboctahedra, edges with eight equivalent Co(2)Co8Cu4 cuboctahedra, edges with eight equivalent Cu(1)Co12 cuboctahedra, faces with four equivalent Co(2)Co8Cu4 cuboctahedra, faces with four equivalent Cu(1)Co12 cuboctahedra, and faces with ten equivalent Co(1)Co8Cu4 cuboctahedra. In the second Co site, Co(2) is bonded to eight equivalent Co(1) and four equivalent Cu(1) atoms to form CoCo8Cu4 cuboctahedra that share corners with four equivalent Co(2)Co8Cu4 cuboctahedra, corners with eight equivalent Cu(1)Co12 cuboctahedra, edges with eight equivalent Co(2)Co8Cu4 cuboctahedra, edges with sixteen equivalent Co(1)Co8Cu4 cuboctahedra, faces with four equivalent Co(2)Co8Cu4 cuboctahedra, faces with six equivalent Cu(1)Co12 cuboctahedra, and faces with eight equivalent Co(1)Co8Cu4 cuboctahedra. Cu(1) is bonded to four equivalent Co(2) and eight equivalent Co(1) atoms to form CuCo12 cuboctahedra that share corners with four equivalent Cu(1)Co12 cuboctahedra, corners with eight equivalent Co(2)Co8Cu4 cuboctahedra, edges with eight equivalent Cu(1)Co12 cuboctahedra, edges with sixteen equivalent Co(1)Co8Cu4 cuboctahedra, faces with four equivalent Cu(1)Co12 cuboctahedra, faces with six equivalent Co(2)Co8Cu4 cuboctahedra, and faces with eight equivalent Co(1)Co8Cu4 cuboctahedra. is represented by the CIF card [CIF]
data_Co3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.343
_cell_length_b   4.343
_cell_length_c   4.343
_cell_angle_alpha   131.868
_cell_angle_beta   131.868
_cell_angle_gamma   70.437
_symmetry_Int_Tables_number   1
_cell_volume   44.520
_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
  Co  Co0  1  0.750  0.250  0.500  1.0
  Co  Co1  1  0.250  0.750  0.500  1.0
  Co  Co2  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 material structure described by Co3Cu is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to four equivalent Co(1), four equivalent Co(2), and four equivalent Cu(1) atoms to form CoCo8Cu4 cuboctahedra that share corners with twelve equivalent Co(1)Co8Cu4 cuboctahedra, edges with eight equivalent Co(1)Co8Cu4 cuboctahedra, edges with eight equivalent Co(2)Co8Cu4 cuboctahedra, edges with eight equivalent Cu(1)Co12 cuboctahedra, faces with four equivalent Co(2)Co8Cu4 cuboctahedra, faces with four equivalent Cu(1)Co12 cuboctahedra, and faces with ten equivalent Co(1)Co8Cu4 cuboctahedra. In the second Co site, Co(2) is bonded to eight equivalent Co(1) and four equivalent Cu(1) atoms to form CoCo8Cu4 cuboctahedra that share corners with four equivalent Co(2)Co8Cu4 cuboctahedra, corners with eight equivalent Cu(1)Co12 cuboctahedra, edges with eight equivalent Co(2)Co8Cu4 cuboctahedra, edges with sixteen equivalent Co(1)Co8Cu4 cuboctahedra, faces with four equivalent Co(2)Co8Cu4 cuboctahedra, faces with six equivalent Cu(1)Co12 cuboctahedra, and faces with eight equivalent Co(1)Co8Cu4 cuboctahedra. Cu(1) is bonded to four equivalent Co(2) and eight equivalent Co(1) atoms to form CuCo12 cuboctahedra that share corners with four equivalent Cu(1)Co12 cuboctahedra, corners with eight equivalent Co(2)Co8Cu4 cuboctahedra, edges with eight equivalent Cu(1)Co12 cuboctahedra, edges with sixteen equivalent Co(1)Co8Cu4 cuboctahedra, faces with four equivalent Cu(1)Co12 cuboctahedra, faces with six equivalent Co(2)Co8Cu4 cuboctahedra, and faces with eight equivalent Co(1)Co8Cu4 cuboctahedra. is represented by the CIF card [CIF]
data_Co3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.343
_cell_length_b   4.343
_cell_length_c   4.343
_cell_angle_alpha   131.868
_cell_angle_beta   131.868
_cell_angle_gamma   70.437
_symmetry_Int_Tables_number   1
_cell_volume   44.520
_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
  Co  Co0  1  0.750  0.250  0.500  1.0
  Co  Co1  1  0.250  0.750  0.500  1.0
  Co  Co2  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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