The crystal structure described by Cu3Rh is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Rh(1) is bonded to four equivalent Cu(2) and eight equivalent Cu(1) atoms to form RhCu12 cuboctahedra that share corners with four equivalent Rh(1)Cu12 cuboctahedra, corners with eight equivalent Cu(2)Cu8Rh4 cuboctahedra, edges with eight equivalent Rh(1)Cu12 cuboctahedra, edges with sixteen equivalent Cu(1)Cu8Rh4 cuboctahedra, faces with four equivalent Rh(1)Cu12 cuboctahedra, faces with six equivalent Cu(2)Cu8Rh4 cuboctahedra, and faces with eight equivalent Cu(1)Cu8Rh4 cuboctahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Rh(1), four equivalent Cu(1), and four equivalent Cu(2) atoms to form distorted CuCu8Rh4 cuboctahedra that share corners with twelve equivalent Cu(1)Cu8Rh4 cuboctahedra, edges with eight equivalent Rh(1)Cu12 cuboctahedra, edges with eight equivalent Cu(1)Cu8Rh4 cuboctahedra, edges with eight equivalent Cu(2)Cu8Rh4 cuboctahedra, faces with four equivalent Rh(1)Cu12 cuboctahedra, faces with four equivalent Cu(2)Cu8Rh4 cuboctahedra, and faces with ten equivalent Cu(1)Cu8Rh4 cuboctahedra. In the second Cu site, Cu(2) is bonded to four equivalent Rh(1) and eight equivalent Cu(1) atoms to form CuCu8Rh4 cuboctahedra that share corners with four equivalent Cu(2)Cu8Rh4 cuboctahedra, corners with eight equivalent Rh(1)Cu12 cuboctahedra, edges with eight equivalent Cu(2)Cu8Rh4 cuboctahedra, edges with sixteen equivalent Cu(1)Cu8Rh4 cuboctahedra, faces with four equivalent Cu(2)Cu8Rh4 cuboctahedra, faces with six equivalent Rh(1)Cu12 cuboctahedra, and faces with eight equivalent Cu(1)Cu8Rh4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.440
_cell_length_b   4.440
_cell_length_c   4.440
_cell_angle_alpha   131.113
_cell_angle_beta   131.113
_cell_angle_gamma   71.634
_symmetry_Int_Tables_number   1
_cell_volume   48.623
_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
  Cu  Cu0  1  0.750  0.250  0.500  1.0
  Cu  Cu1  1  0.250  0.750  0.500  1.0
  Cu  Cu2  1  0.500  0.500  0.000  1.0
  Rh  Rh3  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Cu3Rh is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Rh(1) is bonded to four equivalent Cu(2) and eight equivalent Cu(1) atoms to form RhCu12 cuboctahedra that share corners with four equivalent Rh(1)Cu12 cuboctahedra, corners with eight equivalent Cu(2)Cu8Rh4 cuboctahedra, edges with eight equivalent Rh(1)Cu12 cuboctahedra, edges with sixteen equivalent Cu(1)Cu8Rh4 cuboctahedra, faces with four equivalent Rh(1)Cu12 cuboctahedra, faces with six equivalent Cu(2)Cu8Rh4 cuboctahedra, and faces with eight equivalent Cu(1)Cu8Rh4 cuboctahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Rh(1), four equivalent Cu(1), and four equivalent Cu(2) atoms to form distorted CuCu8Rh4 cuboctahedra that share corners with twelve equivalent Cu(1)Cu8Rh4 cuboctahedra, edges with eight equivalent Rh(1)Cu12 cuboctahedra, edges with eight equivalent Cu(1)Cu8Rh4 cuboctahedra, edges with eight equivalent Cu(2)Cu8Rh4 cuboctahedra, faces with four equivalent Rh(1)Cu12 cuboctahedra, faces with four equivalent Cu(2)Cu8Rh4 cuboctahedra, and faces with ten equivalent Cu(1)Cu8Rh4 cuboctahedra. In the second Cu site, Cu(2) is bonded to four equivalent Rh(1) and eight equivalent Cu(1) atoms to form CuCu8Rh4 cuboctahedra that share corners with four equivalent Cu(2)Cu8Rh4 cuboctahedra, corners with eight equivalent Rh(1)Cu12 cuboctahedra, edges with eight equivalent Cu(2)Cu8Rh4 cuboctahedra, edges with sixteen equivalent Cu(1)Cu8Rh4 cuboctahedra, faces with four equivalent Cu(2)Cu8Rh4 cuboctahedra, faces with six equivalent Rh(1)Cu12 cuboctahedra, and faces with eight equivalent Cu(1)Cu8Rh4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.440
_cell_length_b   4.440
_cell_length_c   4.440
_cell_angle_alpha   131.113
_cell_angle_beta   131.113
_cell_angle_gamma   71.634
_symmetry_Int_Tables_number   1
_cell_volume   48.623
_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
  Cu  Cu0  1  0.750  0.250  0.500  1.0
  Cu  Cu1  1  0.250  0.750  0.500  1.0
  Cu  Cu2  1  0.500  0.500  0.000  1.0
  Rh  Rh3  1  0.000  0.000  0.000  1.0
[/CIF]
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