The compound described by Cu3Rh is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Rh(1) is bonded to twelve Cu(1,1,1) atoms to form RhCu12 cuboctahedra that share corners with six equivalent Rh(1)Cu12 cuboctahedra; corners with twelve Cu(1,1)Cu8Rh4 cuboctahedra; edges with eighteen Cu(1,1,1)Cu8Rh4 cuboctahedra; faces with eight equivalent Rh(1)Cu12 cuboctahedra; and faces with twelve Cu(1,1,1)Cu8Rh4 cuboctahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Rh(1) and eight Cu(1,1,1) atoms to form distorted CuCu8Rh4 cuboctahedra that share corners with four equivalent Rh(1)Cu12 cuboctahedra; corners with fourteen Cu(1,1)Cu8Rh4 cuboctahedra; edges with six equivalent Rh(1)Cu12 cuboctahedra; edges with twelve Cu(1,1,1)Cu8Rh4 cuboctahedra; faces with four equivalent Rh(1)Cu12 cuboctahedra; and faces with sixteen Cu(1,1,1)Cu8Rh4 cuboctahedra. In the second Cu site, Cu(1) is bonded to four equivalent Rh(1) and eight Cu(1,1) atoms to form distorted CuCu8Rh4 cuboctahedra that share corners with four equivalent Rh(1)Cu12 cuboctahedra; corners with fourteen Cu(1,1)Cu8Rh4 cuboctahedra; edges with six equivalent Rh(1)Cu12 cuboctahedra; edges with twelve Cu(1,1)Cu8Rh4 cuboctahedra; faces with four equivalent Rh(1)Cu12 cuboctahedra; and faces with sixteen Cu(1,1,1)Cu8Rh4 cuboctahedra. In the third Cu site, Cu(1) is bonded to four equivalent Rh(1) and eight Cu(1,1,1) atoms to form distorted CuCu8Rh4 cuboctahedra that share corners with four equivalent Rh(1)Cu12 cuboctahedra; corners with fourteen Cu(1,1)Cu8Rh4 cuboctahedra; edges with six equivalent Rh(1)Cu12 cuboctahedra; edges with twelve Cu(1,1,1)Cu8Rh4 cuboctahedra; faces with four equivalent Rh(1)Cu12 cuboctahedra; and faces with sixteen Cu(1,1,1)Cu8Rh4 cuboctahedra. is represented by the CIF card [CIF]
data_Cu3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.179
_cell_length_b   5.179
_cell_length_c   4.185
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   97.207
_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
  Cu  Cu0  1  0.164  0.328  0.250  1.0
  Cu  Cu1  1  0.672  0.836  0.250  1.0
  Cu  Cu2  1  0.164  0.836  0.250  1.0
  Cu  Cu3  1  0.836  0.672  0.750  1.0
  Cu  Cu4  1  0.328  0.164  0.750  1.0
  Cu  Cu5  1  0.836  0.164  0.750  1.0
  Rh  Rh6  1  0.333  0.667  0.750  1.0
  Rh  Rh7  1  0.667  0.333  0.250  1.0
[/CIF]
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The compound described by Cu3Rh is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Rh(1) is bonded to twelve Cu(1,1,1) atoms to form RhCu12 cuboctahedra that share corners with six equivalent Rh(1)Cu12 cuboctahedra; corners with twelve Cu(1,1)Cu8Rh4 cuboctahedra; edges with eighteen Cu(1,1,1)Cu8Rh4 cuboctahedra; faces with eight equivalent Rh(1)Cu12 cuboctahedra; and faces with twelve Cu(1,1,1)Cu8Rh4 cuboctahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Rh(1) and eight Cu(1,1,1) atoms to form distorted CuCu8Rh4 cuboctahedra that share corners with four equivalent Rh(1)Cu12 cuboctahedra; corners with fourteen Cu(1,1)Cu8Rh4 cuboctahedra; edges with six equivalent Rh(1)Cu12 cuboctahedra; edges with twelve Cu(1,1,1)Cu8Rh4 cuboctahedra; faces with four equivalent Rh(1)Cu12 cuboctahedra; and faces with sixteen Cu(1,1,1)Cu8Rh4 cuboctahedra. In the second Cu site, Cu(1) is bonded to four equivalent Rh(1) and eight Cu(1,1) atoms to form distorted CuCu8Rh4 cuboctahedra that share corners with four equivalent Rh(1)Cu12 cuboctahedra; corners with fourteen Cu(1,1)Cu8Rh4 cuboctahedra; edges with six equivalent Rh(1)Cu12 cuboctahedra; edges with twelve Cu(1,1)Cu8Rh4 cuboctahedra; faces with four equivalent Rh(1)Cu12 cuboctahedra; and faces with sixteen Cu(1,1,1)Cu8Rh4 cuboctahedra. In the third Cu site, Cu(1) is bonded to four equivalent Rh(1) and eight Cu(1,1,1) atoms to form distorted CuCu8Rh4 cuboctahedra that share corners with four equivalent Rh(1)Cu12 cuboctahedra; corners with fourteen Cu(1,1)Cu8Rh4 cuboctahedra; edges with six equivalent Rh(1)Cu12 cuboctahedra; edges with twelve Cu(1,1,1)Cu8Rh4 cuboctahedra; faces with four equivalent Rh(1)Cu12 cuboctahedra; and faces with sixteen Cu(1,1,1)Cu8Rh4 cuboctahedra. is represented by the CIF card [CIF]
data_Cu3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.179
_cell_length_b   5.179
_cell_length_c   4.185
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   97.207
_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
  Cu  Cu0  1  0.164  0.328  0.250  1.0
  Cu  Cu1  1  0.672  0.836  0.250  1.0
  Cu  Cu2  1  0.164  0.836  0.250  1.0
  Cu  Cu3  1  0.836  0.672  0.750  1.0
  Cu  Cu4  1  0.328  0.164  0.750  1.0
  Cu  Cu5  1  0.836  0.164  0.750  1.0
  Rh  Rh6  1  0.333  0.667  0.750  1.0
  Rh  Rh7  1  0.667  0.333  0.250  1.0
[/CIF]
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