The structure described by K2VCuS4 crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one S(2), one S(3), one S(5), one S(6), two equivalent S(1), and two equivalent S(7) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one S(2), one S(3), one S(5), one S(6), two equivalent S(4), and two equivalent S(8) atoms. In the third K site, K(3) is bonded in a 8-coordinate geometry to one S(1), one S(4), one S(7), one S(8), two equivalent S(5), and two equivalent S(6) atoms. In the fourth K site, K(4) is bonded in a 8-coordinate geometry to one S(1), one S(4), one S(7), one S(8), two equivalent S(2), and two equivalent S(3) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one S(1), one S(5), one S(6), and one S(7) atom to form VS4 tetrahedra that share edges with two equivalent Cu(2)S4 tetrahedra. In the second V site, V(2) is bonded to one S(2), one S(3), one S(4), and one S(8) atom to form VS4 tetrahedra that share edges with two equivalent Cu(1)S4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(2), one S(3), one S(4), and one S(8) atom to form distorted CuS4 tetrahedra that share edges with two equivalent V(2)S4 tetrahedra. In the second Cu site, Cu(2) is bonded to one S(1), one S(5), one S(6), and one S(7) atom to form distorted CuS4 tetrahedra that share edges with two equivalent V(1)S4 tetrahedra. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one K(3), one K(4), two equivalent K(1), one V(1), and one Cu(2) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one K(1), one K(2), two equivalent K(4), one V(2), and one Cu(1) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to one K(1), one K(2), two equivalent K(4), one V(2), and one Cu(1) atom. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to one K(3), one K(4), two equivalent K(2), one V(2), and one Cu(1) atom. In the fifth S site, S(5) is bonded in a 6-coordinate geometry to one K(1), one K(2), two equivalent K(3), one V(1), and one Cu(2) atom. In the sixth S site, S(6) is bonded in a 6-coordinate geometry to one K(1), one K(2), two equivalent K(3), one V(1), and one Cu(2) atom. In the seventh S site, S(7) is bonded in a 6-coordinate geometry to one K(3), one K(4), two equivalent K(1), one V(1), and one Cu(2) atom. In the eighth S site, S(8) is bonded in a 6-coordinate geometry to one K(3), one K(4), two equivalent K(2), one V(2), and one Cu(1) atom. is represented by the CIF card [CIF]
data_K2VCuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.238
_cell_length_b   11.814
_cell_length_c   7.099
_cell_angle_alpha   84.960
_cell_angle_beta   62.749
_cell_angle_gamma   32.291
_symmetry_Int_Tables_number   1
_cell_volume   409.480
_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  0.193  0.201  0.562  1.0
  K  K1  1  0.451  0.443  0.806  1.0
  K  K2  1  0.559  0.549  0.186  1.0
  K  K3  1  0.811  0.800  0.439  1.0
  V  V4  1  0.633  0.620  0.621  1.0
  V  V5  1  0.371  0.376  0.375  1.0
  Cu  Cu6  1  0.881  0.873  0.870  1.0
  Cu  Cu7  1  0.129  0.118  0.127  1.0
  S  S8  1  0.546  0.811  0.905  1.0
  S  S9  1  0.451  0.187  0.099  1.0
  S  S10  1  0.187  0.453  0.751  1.0
  S  S11  1  0.094  0.766  0.456  1.0
  S  S12  1  0.234  0.906  0.817  1.0
  S  S13  1  0.892  0.249  0.555  1.0
  S  S14  1  0.815  0.543  0.235  1.0
  S  S15  1  0.758  0.101  0.179  1.0
[/CIF]
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The structure described by K2VCuS4 crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one S(2), one S(3), one S(5), one S(6), two equivalent S(1), and two equivalent S(7) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one S(2), one S(3), one S(5), one S(6), two equivalent S(4), and two equivalent S(8) atoms. In the third K site, K(3) is bonded in a 8-coordinate geometry to one S(1), one S(4), one S(7), one S(8), two equivalent S(5), and two equivalent S(6) atoms. In the fourth K site, K(4) is bonded in a 8-coordinate geometry to one S(1), one S(4), one S(7), one S(8), two equivalent S(2), and two equivalent S(3) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one S(1), one S(5), one S(6), and one S(7) atom to form VS4 tetrahedra that share edges with two equivalent Cu(2)S4 tetrahedra. In the second V site, V(2) is bonded to one S(2), one S(3), one S(4), and one S(8) atom to form VS4 tetrahedra that share edges with two equivalent Cu(1)S4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(2), one S(3), one S(4), and one S(8) atom to form distorted CuS4 tetrahedra that share edges with two equivalent V(2)S4 tetrahedra. In the second Cu site, Cu(2) is bonded to one S(1), one S(5), one S(6), and one S(7) atom to form distorted CuS4 tetrahedra that share edges with two equivalent V(1)S4 tetrahedra. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one K(3), one K(4), two equivalent K(1), one V(1), and one Cu(2) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one K(1), one K(2), two equivalent K(4), one V(2), and one Cu(1) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to one K(1), one K(2), two equivalent K(4), one V(2), and one Cu(1) atom. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to one K(3), one K(4), two equivalent K(2), one V(2), and one Cu(1) atom. In the fifth S site, S(5) is bonded in a 6-coordinate geometry to one K(1), one K(2), two equivalent K(3), one V(1), and one Cu(2) atom. In the sixth S site, S(6) is bonded in a 6-coordinate geometry to one K(1), one K(2), two equivalent K(3), one V(1), and one Cu(2) atom. In the seventh S site, S(7) is bonded in a 6-coordinate geometry to one K(3), one K(4), two equivalent K(1), one V(1), and one Cu(2) atom. In the eighth S site, S(8) is bonded in a 6-coordinate geometry to one K(3), one K(4), two equivalent K(2), one V(2), and one Cu(1) atom. is represented by the CIF card [CIF]
data_K2VCuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.238
_cell_length_b   11.814
_cell_length_c   7.099
_cell_angle_alpha   84.960
_cell_angle_beta   62.749
_cell_angle_gamma   32.291
_symmetry_Int_Tables_number   1
_cell_volume   409.480
_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  0.193  0.201  0.562  1.0
  K  K1  1  0.451  0.443  0.806  1.0
  K  K2  1  0.559  0.549  0.186  1.0
  K  K3  1  0.811  0.800  0.439  1.0
  V  V4  1  0.633  0.620  0.621  1.0
  V  V5  1  0.371  0.376  0.375  1.0
  Cu  Cu6  1  0.881  0.873  0.870  1.0
  Cu  Cu7  1  0.129  0.118  0.127  1.0
  S  S8  1  0.546  0.811  0.905  1.0
  S  S9  1  0.451  0.187  0.099  1.0
  S  S10  1  0.187  0.453  0.751  1.0
  S  S11  1  0.094  0.766  0.456  1.0
  S  S12  1  0.234  0.906  0.817  1.0
  S  S13  1  0.892  0.249  0.555  1.0
  S  S14  1  0.815  0.543  0.235  1.0
  S  S15  1  0.758  0.101  0.179  1.0
[/CIF]
.