The compound described by TaV(Cu3Se4)2 is Sulvanite-derived structured and crystallizes in the tetragonal P-4m2 space group. Ta(1) is bonded to two equivalent Cu(2) and four equivalent Se(2) atoms to form distorted TaCu2Se4 tetrahedra that share corners with two equivalent Ta(1)Cu2Se4 tetrahedra, corners with eight equivalent Se(2)TaCu3 tetrahedra, edges with two equivalent Cu(2)Ta2Se4 tetrahedra, and edges with four equivalent Cu(1)Se4 tetrahedra. V(1) is bonded to four equivalent Se(1) atoms to form VSe4 tetrahedra that share edges with two equivalent Cu(3)Se4 tetrahedra and edges with four equivalent Cu(1)Se4 tetrahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form distorted CuSe4 tetrahedra that share corners with two equivalent Cu(3)Se4 tetrahedra, corners with two equivalent Cu(2)Ta2Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra,  an edgeedge with one Ta(1)Cu2Se4 tetrahedra, and  an edgeedge with one V(1)Se4 tetrahedra. In the second Cu site, Cu(2) is bonded to two equivalent Ta(1) and four equivalent Se(2) atoms to form distorted CuTa2Se4 tetrahedra that share corners with two equivalent Cu(2)Ta2Se4 tetrahedra, corners with eight equivalent Cu(1)Se4 tetrahedra, corners with eight equivalent Se(2)TaCu3 tetrahedra, and edges with two equivalent Ta(1)Cu2Se4 tetrahedra. In the third Cu site, Cu(3) is bonded to four equivalent Se(1) atoms to form distorted CuSe4 tetrahedra that share corners with eight equivalent Cu(1)Se4 tetrahedra and edges with two equivalent V(1)Se4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one V(1), one Cu(3), and two equivalent Cu(1) atoms to form SeVCu3 tetrahedra that share corners with two equivalent Se(1)VCu3 tetrahedra, corners with four equivalent Se(2)TaCu3 tetrahedra, and edges with three equivalent Se(1)VCu3 tetrahedra. In the second Se site, Se(2) is bonded to one Ta(1), one Cu(2), and two equivalent Cu(1) atoms to form SeTaCu3 tetrahedra that share corners with two equivalent Ta(1)Cu2Se4 tetrahedra, corners with two equivalent Cu(2)Ta2Se4 tetrahedra, corners with two equivalent Se(2)TaCu3 tetrahedra, corners with four equivalent Se(1)VCu3 tetrahedra, and edges with three equivalent Se(2)TaCu3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaV(Cu3Se4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.998
_cell_length_b   7.998
_cell_length_c   5.656
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   361.808
_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
  Ta  Ta0  1  0.000  0.000  0.000  1.0
  V  V1  1  0.500  0.500  0.000  1.0
  Cu  Cu2  1  0.252  0.748  0.000  1.0
  Cu  Cu3  1  0.748  0.252  0.000  1.0
  Cu  Cu4  1  0.252  0.252  0.000  1.0
  Cu  Cu5  1  0.748  0.748  0.000  1.0
  Cu  Cu6  1  0.000  0.000  0.500  1.0
  Cu  Cu7  1  0.500  0.500  0.500  1.0
  Se  Se8  1  0.500  0.259  0.758  1.0
  Se  Se9  1  0.000  0.748  0.749  1.0
  Se  Se10  1  0.500  0.741  0.758  1.0
  Se  Se11  1  0.000  0.252  0.749  1.0
  Se  Se12  1  0.748  0.000  0.251  1.0
  Se  Se13  1  0.259  0.500  0.242  1.0
  Se  Se14  1  0.252  0.000  0.251  1.0
  Se  Se15  1  0.741  0.500  0.242  1.0
[/CIF]
.
The compound described by TaV(Cu3Se4)2 is Sulvanite-derived structured and crystallizes in the tetragonal P-4m2 space group. Ta(1) is bonded to two equivalent Cu(2) and four equivalent Se(2) atoms to form distorted TaCu2Se4 tetrahedra that share corners with two equivalent Ta(1)Cu2Se4 tetrahedra, corners with eight equivalent Se(2)TaCu3 tetrahedra, edges with two equivalent Cu(2)Ta2Se4 tetrahedra, and edges with four equivalent Cu(1)Se4 tetrahedra. V(1) is bonded to four equivalent Se(1) atoms to form VSe4 tetrahedra that share edges with two equivalent Cu(3)Se4 tetrahedra and edges with four equivalent Cu(1)Se4 tetrahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form distorted CuSe4 tetrahedra that share corners with two equivalent Cu(3)Se4 tetrahedra, corners with two equivalent Cu(2)Ta2Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra,  an edgeedge with one Ta(1)Cu2Se4 tetrahedra, and  an edgeedge with one V(1)Se4 tetrahedra. In the second Cu site, Cu(2) is bonded to two equivalent Ta(1) and four equivalent Se(2) atoms to form distorted CuTa2Se4 tetrahedra that share corners with two equivalent Cu(2)Ta2Se4 tetrahedra, corners with eight equivalent Cu(1)Se4 tetrahedra, corners with eight equivalent Se(2)TaCu3 tetrahedra, and edges with two equivalent Ta(1)Cu2Se4 tetrahedra. In the third Cu site, Cu(3) is bonded to four equivalent Se(1) atoms to form distorted CuSe4 tetrahedra that share corners with eight equivalent Cu(1)Se4 tetrahedra and edges with two equivalent V(1)Se4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one V(1), one Cu(3), and two equivalent Cu(1) atoms to form SeVCu3 tetrahedra that share corners with two equivalent Se(1)VCu3 tetrahedra, corners with four equivalent Se(2)TaCu3 tetrahedra, and edges with three equivalent Se(1)VCu3 tetrahedra. In the second Se site, Se(2) is bonded to one Ta(1), one Cu(2), and two equivalent Cu(1) atoms to form SeTaCu3 tetrahedra that share corners with two equivalent Ta(1)Cu2Se4 tetrahedra, corners with two equivalent Cu(2)Ta2Se4 tetrahedra, corners with two equivalent Se(2)TaCu3 tetrahedra, corners with four equivalent Se(1)VCu3 tetrahedra, and edges with three equivalent Se(2)TaCu3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaV(Cu3Se4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.998
_cell_length_b   7.998
_cell_length_c   5.656
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   361.808
_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
  Ta  Ta0  1  0.000  0.000  0.000  1.0
  V  V1  1  0.500  0.500  0.000  1.0
  Cu  Cu2  1  0.252  0.748  0.000  1.0
  Cu  Cu3  1  0.748  0.252  0.000  1.0
  Cu  Cu4  1  0.252  0.252  0.000  1.0
  Cu  Cu5  1  0.748  0.748  0.000  1.0
  Cu  Cu6  1  0.000  0.000  0.500  1.0
  Cu  Cu7  1  0.500  0.500  0.500  1.0
  Se  Se8  1  0.500  0.259  0.758  1.0
  Se  Se9  1  0.000  0.748  0.749  1.0
  Se  Se10  1  0.500  0.741  0.758  1.0
  Se  Se11  1  0.000  0.252  0.749  1.0
  Se  Se12  1  0.748  0.000  0.251  1.0
  Se  Se13  1  0.259  0.500  0.242  1.0
  Se  Se14  1  0.252  0.000  0.251  1.0
  Se  Se15  1  0.741  0.500  0.242  1.0
[/CIF]
.