The material structure described by VCu3(TeSe)2 is Sulvanite-derived structured and crystallizes in the orthorhombic Cmm2 space group. V(1) is bonded in a 4-coordinate geometry to two equivalent Cu(2), four equivalent Cu(1), two equivalent Te(1), and two equivalent Se(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent V(1), two equivalent Te(1), and two equivalent Se(1) atoms. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to two equivalent V(1), two equivalent Te(1), and two equivalent Se(1) atoms. Te(1) is bonded to one V(1), one Cu(2), and two equivalent Cu(1) atoms to form TeVCu3 tetrahedra that share corners with two equivalent Te(1)VCu3 tetrahedra, corners with four equivalent Se(1)VCu3 tetrahedra,  an edgeedge with one Te(1)VCu3 tetrahedra, and edges with two equivalent Se(1)VCu3 tetrahedra. Se(1) is bonded to one V(1), one Cu(2), and two equivalent Cu(1) atoms to form distorted SeVCu3 tetrahedra that share corners with two equivalent Se(1)VCu3 tetrahedra, corners with four equivalent Te(1)VCu3 tetrahedra,  an edgeedge with one Se(1)VCu3 tetrahedra, and edges with two equivalent Te(1)VCu3 tetrahedra. is represented by the CIF card [CIF]
data_VCu3(TeSe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.771
_cell_length_b   5.771
_cell_length_c   5.760
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.493
_symmetry_Int_Tables_number   1
_cell_volume   191.774
_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  0.000  0.000  0.005  1.0
  Cu  Cu1  1  0.500  0.000  0.012  1.0
  Cu  Cu2  1  0.000  0.500  0.012  1.0
  Cu  Cu3  1  0.000  0.000  0.493  1.0
  Te  Te4  1  0.739  0.739  0.747  1.0
  Te  Te5  1  0.261  0.261  0.747  1.0
  Se  Se6  1  0.234  0.766  0.242  1.0
  Se  Se7  1  0.766  0.234  0.242  1.0
[/CIF]
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The material structure described by VCu3(TeSe)2 is Sulvanite-derived structured and crystallizes in the orthorhombic Cmm2 space group. V(1) is bonded in a 4-coordinate geometry to two equivalent Cu(2), four equivalent Cu(1), two equivalent Te(1), and two equivalent Se(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent V(1), two equivalent Te(1), and two equivalent Se(1) atoms. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to two equivalent V(1), two equivalent Te(1), and two equivalent Se(1) atoms. Te(1) is bonded to one V(1), one Cu(2), and two equivalent Cu(1) atoms to form TeVCu3 tetrahedra that share corners with two equivalent Te(1)VCu3 tetrahedra, corners with four equivalent Se(1)VCu3 tetrahedra,  an edgeedge with one Te(1)VCu3 tetrahedra, and edges with two equivalent Se(1)VCu3 tetrahedra. Se(1) is bonded to one V(1), one Cu(2), and two equivalent Cu(1) atoms to form distorted SeVCu3 tetrahedra that share corners with two equivalent Se(1)VCu3 tetrahedra, corners with four equivalent Te(1)VCu3 tetrahedra,  an edgeedge with one Se(1)VCu3 tetrahedra, and edges with two equivalent Te(1)VCu3 tetrahedra. is represented by the CIF card [CIF]
data_VCu3(TeSe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.771
_cell_length_b   5.771
_cell_length_c   5.760
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.493
_symmetry_Int_Tables_number   1
_cell_volume   191.774
_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  0.000  0.000  0.005  1.0
  Cu  Cu1  1  0.500  0.000  0.012  1.0
  Cu  Cu2  1  0.000  0.500  0.012  1.0
  Cu  Cu3  1  0.000  0.000  0.493  1.0
  Te  Te4  1  0.739  0.739  0.747  1.0
  Te  Te5  1  0.261  0.261  0.747  1.0
  Se  Se6  1  0.234  0.766  0.242  1.0
  Se  Se7  1  0.766  0.234  0.242  1.0
[/CIF]
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