The crystal structure described by TaVCu crystallizes in the orthorhombic Imma space group. Ta(1) is bonded in a 16-coordinate geometry to four equivalent Ta(1), six equivalent V(1), and six equivalent Cu(1) atoms. V(1) is bonded to six equivalent Ta(1), two equivalent V(1), and four equivalent Cu(1) atoms to form distorted VTa6V2Cu4 cuboctahedra that share corners with eight equivalent Cu(1)Ta6V4Cu2 cuboctahedra, corners with ten equivalent V(1)Ta6V2Cu4 cuboctahedra, edges with six equivalent V(1)Ta6V2Cu4 cuboctahedra, faces with six equivalent V(1)Ta6V2Cu4 cuboctahedra, and faces with twelve equivalent Cu(1)Ta6V4Cu2 cuboctahedra. Cu(1) is bonded to six equivalent Ta(1), four equivalent V(1), and two equivalent Cu(1) atoms to form CuTa6V4Cu2 cuboctahedra that share corners with eight equivalent V(1)Ta6V2Cu4 cuboctahedra, corners with ten equivalent Cu(1)Ta6V4Cu2 cuboctahedra, edges with six equivalent Cu(1)Ta6V4Cu2 cuboctahedra, faces with six equivalent Cu(1)Ta6V4Cu2 cuboctahedra, and faces with twelve equivalent V(1)Ta6V2Cu4 cuboctahedra. is represented by the CIF card [CIF]
data_TaVCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.010
_cell_length_b   5.010
_cell_length_c   5.010
_cell_angle_alpha   122.874
_cell_angle_beta   119.446
_cell_angle_gamma   88.029
_symmetry_Int_Tables_number   1
_cell_volume   87.224
_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
  Ta  Ta0  1  0.129  0.879  0.250  1.0
  Ta  Ta1  1  0.871  0.121  0.750  1.0
  V  V2  1  0.500  0.000  0.000  1.0
  V  V3  1  0.500  0.500  0.500  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  Cu  Cu5  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by TaVCu crystallizes in the orthorhombic Imma space group. Ta(1) is bonded in a 16-coordinate geometry to four equivalent Ta(1), six equivalent V(1), and six equivalent Cu(1) atoms. V(1) is bonded to six equivalent Ta(1), two equivalent V(1), and four equivalent Cu(1) atoms to form distorted VTa6V2Cu4 cuboctahedra that share corners with eight equivalent Cu(1)Ta6V4Cu2 cuboctahedra, corners with ten equivalent V(1)Ta6V2Cu4 cuboctahedra, edges with six equivalent V(1)Ta6V2Cu4 cuboctahedra, faces with six equivalent V(1)Ta6V2Cu4 cuboctahedra, and faces with twelve equivalent Cu(1)Ta6V4Cu2 cuboctahedra. Cu(1) is bonded to six equivalent Ta(1), four equivalent V(1), and two equivalent Cu(1) atoms to form CuTa6V4Cu2 cuboctahedra that share corners with eight equivalent V(1)Ta6V2Cu4 cuboctahedra, corners with ten equivalent Cu(1)Ta6V4Cu2 cuboctahedra, edges with six equivalent Cu(1)Ta6V4Cu2 cuboctahedra, faces with six equivalent Cu(1)Ta6V4Cu2 cuboctahedra, and faces with twelve equivalent V(1)Ta6V2Cu4 cuboctahedra. is represented by the CIF card [CIF]
data_TaVCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.010
_cell_length_b   5.010
_cell_length_c   5.010
_cell_angle_alpha   122.874
_cell_angle_beta   119.446
_cell_angle_gamma   88.029
_symmetry_Int_Tables_number   1
_cell_volume   87.224
_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
  Ta  Ta0  1  0.129  0.879  0.250  1.0
  Ta  Ta1  1  0.871  0.121  0.750  1.0
  V  V2  1  0.500  0.000  0.000  1.0
  V  V3  1  0.500  0.500  0.500  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  Cu  Cu5  1  0.500  0.500  0.000  1.0
[/CIF]
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