The structure described by KV(CuS2)2 crystallizes in the orthorhombic Ama2 space group. K(1) is bonded in a 9-coordinate geometry to one S(3), four equivalent S(1), and four equivalent S(2) atoms. V(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form VS4 tetrahedra that share edges with two equivalent Cu(1)S4 tetrahedra and edges with two equivalent Cu(2)S4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent S(1) and two equivalent S(3) atoms to form distorted CuS4 tetrahedra that share corners with two equivalent Cu(1)S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, and edges with two equivalent V(1)S4 tetrahedra. In the second Cu site, Cu(2) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra and edges with two equivalent V(1)S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to two equivalent K(1), one V(1), one Cu(1), and one Cu(2) atom. In the second S site, S(2) is bonded in a 2-coordinate geometry to four equivalent K(1), one V(1), and one Cu(2) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to one K(1), one V(1), one Cu(2), and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_KV(CuS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.419
_cell_length_b   9.419
_cell_length_c   7.435
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.655
_symmetry_Int_Tables_number   1
_cell_volume   362.570
_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
  K  K0  1  0.918  0.554  0.250  1.0
  K  K1  1  0.554  0.918  0.750  1.0
  V  V2  1  0.868  0.087  0.250  1.0
  V  V3  1  0.087  0.868  0.750  1.0
  Cu  Cu4  1  0.994  0.994  0.500  1.0
  Cu  Cu5  1  0.994  0.994  0.000  1.0
  Cu  Cu6  1  0.370  0.585  0.250  1.0
  Cu  Cu7  1  0.585  0.370  0.750  1.0
  S  S8  1  0.321  0.103  0.508  1.0
  S  S9  1  0.103  0.321  0.492  1.0
  S  S10  1  0.536  0.950  0.250  1.0
  S  S11  1  0.950  0.536  0.750  1.0
  S  S12  1  0.736  0.751  0.250  1.0
  S  S13  1  0.751  0.736  0.750  1.0
  S  S14  1  0.321  0.103  0.992  1.0
  S  S15  1  0.103  0.321  0.008  1.0
[/CIF]
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The structure described by KV(CuS2)2 crystallizes in the orthorhombic Ama2 space group. K(1) is bonded in a 9-coordinate geometry to one S(3), four equivalent S(1), and four equivalent S(2) atoms. V(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form VS4 tetrahedra that share edges with two equivalent Cu(1)S4 tetrahedra and edges with two equivalent Cu(2)S4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent S(1) and two equivalent S(3) atoms to form distorted CuS4 tetrahedra that share corners with two equivalent Cu(1)S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, and edges with two equivalent V(1)S4 tetrahedra. In the second Cu site, Cu(2) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra and edges with two equivalent V(1)S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to two equivalent K(1), one V(1), one Cu(1), and one Cu(2) atom. In the second S site, S(2) is bonded in a 2-coordinate geometry to four equivalent K(1), one V(1), and one Cu(2) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to one K(1), one V(1), one Cu(2), and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_KV(CuS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.419
_cell_length_b   9.419
_cell_length_c   7.435
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.655
_symmetry_Int_Tables_number   1
_cell_volume   362.570
_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
  K  K0  1  0.918  0.554  0.250  1.0
  K  K1  1  0.554  0.918  0.750  1.0
  V  V2  1  0.868  0.087  0.250  1.0
  V  V3  1  0.087  0.868  0.750  1.0
  Cu  Cu4  1  0.994  0.994  0.500  1.0
  Cu  Cu5  1  0.994  0.994  0.000  1.0
  Cu  Cu6  1  0.370  0.585  0.250  1.0
  Cu  Cu7  1  0.585  0.370  0.750  1.0
  S  S8  1  0.321  0.103  0.508  1.0
  S  S9  1  0.103  0.321  0.492  1.0
  S  S10  1  0.536  0.950  0.250  1.0
  S  S11  1  0.950  0.536  0.750  1.0
  S  S12  1  0.736  0.751  0.250  1.0
  S  S13  1  0.751  0.736  0.750  1.0
  S  S14  1  0.321  0.103  0.992  1.0
  S  S15  1  0.103  0.321  0.008  1.0
[/CIF]
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