The material structure described by ScCu3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Sc(1) is bonded to four equivalent Cu(2) and eight equivalent Cu(1) atoms to form ScCu12 cuboctahedra that share corners with four equivalent Sc(1)Cu12 cuboctahedra, corners with eight equivalent Cu(2)Sc4Cu8 cuboctahedra, edges with eight equivalent Sc(1)Cu12 cuboctahedra, edges with sixteen equivalent Cu(1)Sc4Cu8 cuboctahedra, faces with four equivalent Sc(1)Cu12 cuboctahedra, faces with six equivalent Cu(2)Sc4Cu8 cuboctahedra, and faces with eight equivalent Cu(1)Sc4Cu8 cuboctahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Sc(1), four equivalent Cu(1), and four equivalent Cu(2) atoms to form distorted CuSc4Cu8 cuboctahedra that share corners with twelve equivalent Cu(1)Sc4Cu8 cuboctahedra, edges with eight equivalent Sc(1)Cu12 cuboctahedra, edges with eight equivalent Cu(1)Sc4Cu8 cuboctahedra, edges with eight equivalent Cu(2)Sc4Cu8 cuboctahedra, faces with four equivalent Sc(1)Cu12 cuboctahedra, faces with four equivalent Cu(2)Sc4Cu8 cuboctahedra, and faces with ten equivalent Cu(1)Sc4Cu8 cuboctahedra. In the second Cu site, Cu(2) is bonded to four equivalent Sc(1) and eight equivalent Cu(1) atoms to form CuSc4Cu8 cuboctahedra that share corners with four equivalent Cu(2)Sc4Cu8 cuboctahedra, corners with eight equivalent Sc(1)Cu12 cuboctahedra, edges with eight equivalent Cu(2)Sc4Cu8 cuboctahedra, edges with sixteen equivalent Cu(1)Sc4Cu8 cuboctahedra, faces with four equivalent Cu(2)Sc4Cu8 cuboctahedra, faces with six equivalent Sc(1)Cu12 cuboctahedra, and faces with eight equivalent Cu(1)Sc4Cu8 cuboctahedra. is represented by the CIF card [CIF]
data_ScCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.599
_cell_length_b   4.599
_cell_length_c   4.599
_cell_angle_alpha   130.061
_cell_angle_beta   130.061
_cell_angle_gamma   73.309
_symmetry_Int_Tables_number   1
_cell_volume   55.630
_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
  Sc  Sc0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.750  0.250  0.500  1.0
  Cu  Cu2  1  0.250  0.750  0.500  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
[/CIF]
.
The material structure described by ScCu3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Sc(1) is bonded to four equivalent Cu(2) and eight equivalent Cu(1) atoms to form ScCu12 cuboctahedra that share corners with four equivalent Sc(1)Cu12 cuboctahedra, corners with eight equivalent Cu(2)Sc4Cu8 cuboctahedra, edges with eight equivalent Sc(1)Cu12 cuboctahedra, edges with sixteen equivalent Cu(1)Sc4Cu8 cuboctahedra, faces with four equivalent Sc(1)Cu12 cuboctahedra, faces with six equivalent Cu(2)Sc4Cu8 cuboctahedra, and faces with eight equivalent Cu(1)Sc4Cu8 cuboctahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Sc(1), four equivalent Cu(1), and four equivalent Cu(2) atoms to form distorted CuSc4Cu8 cuboctahedra that share corners with twelve equivalent Cu(1)Sc4Cu8 cuboctahedra, edges with eight equivalent Sc(1)Cu12 cuboctahedra, edges with eight equivalent Cu(1)Sc4Cu8 cuboctahedra, edges with eight equivalent Cu(2)Sc4Cu8 cuboctahedra, faces with four equivalent Sc(1)Cu12 cuboctahedra, faces with four equivalent Cu(2)Sc4Cu8 cuboctahedra, and faces with ten equivalent Cu(1)Sc4Cu8 cuboctahedra. In the second Cu site, Cu(2) is bonded to four equivalent Sc(1) and eight equivalent Cu(1) atoms to form CuSc4Cu8 cuboctahedra that share corners with four equivalent Cu(2)Sc4Cu8 cuboctahedra, corners with eight equivalent Sc(1)Cu12 cuboctahedra, edges with eight equivalent Cu(2)Sc4Cu8 cuboctahedra, edges with sixteen equivalent Cu(1)Sc4Cu8 cuboctahedra, faces with four equivalent Cu(2)Sc4Cu8 cuboctahedra, faces with six equivalent Sc(1)Cu12 cuboctahedra, and faces with eight equivalent Cu(1)Sc4Cu8 cuboctahedra. is represented by the CIF card [CIF]
data_ScCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.599
_cell_length_b   4.599
_cell_length_c   4.599
_cell_angle_alpha   130.061
_cell_angle_beta   130.061
_cell_angle_gamma   73.309
_symmetry_Int_Tables_number   1
_cell_volume   55.630
_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
  Sc  Sc0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.750  0.250  0.500  1.0
  Cu  Cu2  1  0.250  0.750  0.500  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
[/CIF]
.