The crystal structure described by V3Cu is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to four equivalent V(1), four equivalent V(2), and four equivalent Cu(1) atoms to form VV8Cu4 cuboctahedra that share corners with twelve equivalent V(1)V8Cu4 cuboctahedra, edges with eight equivalent V(1)V8Cu4 cuboctahedra, edges with eight equivalent V(2)V8Cu4 cuboctahedra, edges with eight equivalent Cu(1)V12 cuboctahedra, faces with four equivalent V(2)V8Cu4 cuboctahedra, faces with four equivalent Cu(1)V12 cuboctahedra, and faces with ten equivalent V(1)V8Cu4 cuboctahedra. In the second V site, V(2) is bonded to eight equivalent V(1) and four equivalent Cu(1) atoms to form distorted VV8Cu4 cuboctahedra that share corners with four equivalent V(2)V8Cu4 cuboctahedra, corners with eight equivalent Cu(1)V12 cuboctahedra, edges with eight equivalent V(2)V8Cu4 cuboctahedra, edges with sixteen equivalent V(1)V8Cu4 cuboctahedra, faces with four equivalent V(2)V8Cu4 cuboctahedra, faces with six equivalent Cu(1)V12 cuboctahedra, and faces with eight equivalent V(1)V8Cu4 cuboctahedra. Cu(1) is bonded to four equivalent V(2) and eight equivalent V(1) atoms to form CuV12 cuboctahedra that share corners with four equivalent Cu(1)V12 cuboctahedra, corners with eight equivalent V(2)V8Cu4 cuboctahedra, edges with eight equivalent Cu(1)V12 cuboctahedra, edges with sixteen equivalent V(1)V8Cu4 cuboctahedra, faces with four equivalent Cu(1)V12 cuboctahedra, faces with six equivalent V(2)V8Cu4 cuboctahedra, and faces with eight equivalent V(1)V8Cu4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_V3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.662
_cell_length_b   4.662
_cell_length_c   4.662
_cell_angle_alpha   133.853
_cell_angle_beta   133.853
_cell_angle_gamma   67.317
_symmetry_Int_Tables_number   1
_cell_volume   51.809
_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
  V  V0  1  0.750  0.250  0.500  1.0
  V  V1  1  0.250  0.750  0.500  1.0
  V  V2  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 V3Cu is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to four equivalent V(1), four equivalent V(2), and four equivalent Cu(1) atoms to form VV8Cu4 cuboctahedra that share corners with twelve equivalent V(1)V8Cu4 cuboctahedra, edges with eight equivalent V(1)V8Cu4 cuboctahedra, edges with eight equivalent V(2)V8Cu4 cuboctahedra, edges with eight equivalent Cu(1)V12 cuboctahedra, faces with four equivalent V(2)V8Cu4 cuboctahedra, faces with four equivalent Cu(1)V12 cuboctahedra, and faces with ten equivalent V(1)V8Cu4 cuboctahedra. In the second V site, V(2) is bonded to eight equivalent V(1) and four equivalent Cu(1) atoms to form distorted VV8Cu4 cuboctahedra that share corners with four equivalent V(2)V8Cu4 cuboctahedra, corners with eight equivalent Cu(1)V12 cuboctahedra, edges with eight equivalent V(2)V8Cu4 cuboctahedra, edges with sixteen equivalent V(1)V8Cu4 cuboctahedra, faces with four equivalent V(2)V8Cu4 cuboctahedra, faces with six equivalent Cu(1)V12 cuboctahedra, and faces with eight equivalent V(1)V8Cu4 cuboctahedra. Cu(1) is bonded to four equivalent V(2) and eight equivalent V(1) atoms to form CuV12 cuboctahedra that share corners with four equivalent Cu(1)V12 cuboctahedra, corners with eight equivalent V(2)V8Cu4 cuboctahedra, edges with eight equivalent Cu(1)V12 cuboctahedra, edges with sixteen equivalent V(1)V8Cu4 cuboctahedra, faces with four equivalent Cu(1)V12 cuboctahedra, faces with six equivalent V(2)V8Cu4 cuboctahedra, and faces with eight equivalent V(1)V8Cu4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_V3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.662
_cell_length_b   4.662
_cell_length_c   4.662
_cell_angle_alpha   133.853
_cell_angle_beta   133.853
_cell_angle_gamma   67.317
_symmetry_Int_Tables_number   1
_cell_volume   51.809
_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
  V  V0  1  0.750  0.250  0.500  1.0
  V  V1  1  0.250  0.750  0.500  1.0
  V  V2  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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