The material structure described by K3(VS2)5 is Orthorhombic Perovskite-like structured and crystallizes in the triclinic P1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one S(1), one S(10), one S(4), one S(5), one S(8), and one S(9) atom. In the second K site, K(2) is bonded in a 6-coordinate geometry to one S(1), one S(10), one S(2), one S(3), one S(6), and one S(7) atom. In the third K site, K(3) is bonded in a 6-coordinate geometry to one S(2), one S(3), one S(4), one S(5), one S(8), and one S(9) atom. There are five inequivalent V sites. In the first V site, V(1) is bonded to one S(1), one S(10), one S(2), one S(5), one S(6), and one S(9) atom to form edge-sharing VS6 octahedra. In the second V site, V(2) is bonded to one S(10), one S(2), one S(3), one S(4), one S(7), and one S(8) atom to form edge-sharing VS6 octahedra. In the third V site, V(3) is bonded to one S(1), one S(3), one S(4), one S(5), one S(6), and one S(9) atom to form edge-sharing VS6 octahedra. In the fourth V site, V(4) is bonded to one S(10), one S(2), one S(5), one S(6), one S(7), and one S(8) atom to form edge-sharing VS6 octahedra. In the fifth V site, V(5) is bonded to one S(1), one S(3), one S(4), one S(7), one S(8), and one S(9) atom to form edge-sharing VS6 octahedra. There are ten inequivalent S sites. In the first S site, S(1) is bonded to one K(1), one K(2), one V(1), one V(3), and one V(5) atom to form a mixture of distorted corner and edge-sharing SK2V3 square pyramids. In the second S site, S(2) is bonded to one K(2), one K(3), one V(1), one V(2), and one V(4) atom to form a mixture of distorted corner and edge-sharing SK2V3 square pyramids. In the third S site, S(3) is bonded to one K(2), one K(3), one V(2), one V(3), and one V(5) atom to form a mixture of distorted corner and edge-sharing SK2V3 trigonal bipyramids. In the fourth S site, S(4) is bonded to one K(1), one K(3), one V(2), one V(3), and one V(5) atom to form a mixture of distorted corner and edge-sharing SK2V3 square pyramids. In the fifth S site, S(5) is bonded to one K(1), one K(3), one V(1), one V(3), and one V(4) atom to form a mixture of distorted corner and edge-sharing SK2V3 trigonal bipyramids. In the sixth S site, S(6) is bonded in a rectangular see-saw-like geometry to one K(2), one V(1), one V(3), and one V(4) atom. In the seventh S site, S(7) is bonded in a distorted rectangular see-saw-like geometry to one K(2), one V(2), one V(4), and one V(5) atom. In the eighth S site, S(8) is bonded to one K(1), one K(3), one V(2), one V(4), and one V(5) atom to form a mixture of distorted corner and edge-sharing SK2V3 square pyramids. In the ninth S site, S(9) is bonded in a 5-coordinate geometry to one K(1), one K(3), one V(1), one V(3), and one V(5) atom. In the tenth S site, S(10) is bonded to one K(1), one K(2), one V(1), one V(2), and one V(4) atom to form a mixture of distorted corner and edge-sharing SK2V3 trigonal bipyramids. is represented by the CIF card [CIF]
data_K3(VS2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.848
_cell_length_b   8.673
_cell_length_c   8.994
_cell_angle_alpha   107.394
_cell_angle_beta   108.925
_cell_angle_gamma   103.033
_symmetry_Int_Tables_number   1
_cell_volume   384.626
_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
  K  K0  1  0.265  0.502  0.196  1.0
  K  K1  1  0.052  0.507  0.804  1.0
  K  K2  1  0.860  0.498  0.401  1.0
  V  V3  1  0.987  0.002  0.002  1.0
  V  V4  1  0.811  0.002  0.607  1.0
  V  V5  1  0.603  0.001  0.178  1.0
  V  V6  1  0.394  0.004  0.785  1.0
  V  V7  1  0.211  0.999  0.426  1.0
  S  S8  1  0.179  0.831  0.138  1.0
  S  S9  1  0.972  0.821  0.730  1.0
  S  S10  1  0.629  0.172  0.467  1.0
  S  S11  1  0.774  0.823  0.328  1.0
  S  S12  1  0.427  0.181  0.066  1.0
  S  S13  1  0.565  0.815  0.919  1.0
  S  S14  1  0.241  0.193  0.680  1.0
  S  S15  1  0.375  0.812  0.530  1.0
  S  S16  1  0.040  0.181  0.281  1.0
  S  S17  1  0.830  0.186  0.874  1.0
[/CIF]
.
The material structure described by K3(VS2)5 is Orthorhombic Perovskite-like structured and crystallizes in the triclinic P1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one S(1), one S(10), one S(4), one S(5), one S(8), and one S(9) atom. In the second K site, K(2) is bonded in a 6-coordinate geometry to one S(1), one S(10), one S(2), one S(3), one S(6), and one S(7) atom. In the third K site, K(3) is bonded in a 6-coordinate geometry to one S(2), one S(3), one S(4), one S(5), one S(8), and one S(9) atom. There are five inequivalent V sites. In the first V site, V(1) is bonded to one S(1), one S(10), one S(2), one S(5), one S(6), and one S(9) atom to form edge-sharing VS6 octahedra. In the second V site, V(2) is bonded to one S(10), one S(2), one S(3), one S(4), one S(7), and one S(8) atom to form edge-sharing VS6 octahedra. In the third V site, V(3) is bonded to one S(1), one S(3), one S(4), one S(5), one S(6), and one S(9) atom to form edge-sharing VS6 octahedra. In the fourth V site, V(4) is bonded to one S(10), one S(2), one S(5), one S(6), one S(7), and one S(8) atom to form edge-sharing VS6 octahedra. In the fifth V site, V(5) is bonded to one S(1), one S(3), one S(4), one S(7), one S(8), and one S(9) atom to form edge-sharing VS6 octahedra. There are ten inequivalent S sites. In the first S site, S(1) is bonded to one K(1), one K(2), one V(1), one V(3), and one V(5) atom to form a mixture of distorted corner and edge-sharing SK2V3 square pyramids. In the second S site, S(2) is bonded to one K(2), one K(3), one V(1), one V(2), and one V(4) atom to form a mixture of distorted corner and edge-sharing SK2V3 square pyramids. In the third S site, S(3) is bonded to one K(2), one K(3), one V(2), one V(3), and one V(5) atom to form a mixture of distorted corner and edge-sharing SK2V3 trigonal bipyramids. In the fourth S site, S(4) is bonded to one K(1), one K(3), one V(2), one V(3), and one V(5) atom to form a mixture of distorted corner and edge-sharing SK2V3 square pyramids. In the fifth S site, S(5) is bonded to one K(1), one K(3), one V(1), one V(3), and one V(4) atom to form a mixture of distorted corner and edge-sharing SK2V3 trigonal bipyramids. In the sixth S site, S(6) is bonded in a rectangular see-saw-like geometry to one K(2), one V(1), one V(3), and one V(4) atom. In the seventh S site, S(7) is bonded in a distorted rectangular see-saw-like geometry to one K(2), one V(2), one V(4), and one V(5) atom. In the eighth S site, S(8) is bonded to one K(1), one K(3), one V(2), one V(4), and one V(5) atom to form a mixture of distorted corner and edge-sharing SK2V3 square pyramids. In the ninth S site, S(9) is bonded in a 5-coordinate geometry to one K(1), one K(3), one V(1), one V(3), and one V(5) atom. In the tenth S site, S(10) is bonded to one K(1), one K(2), one V(1), one V(2), and one V(4) atom to form a mixture of distorted corner and edge-sharing SK2V3 trigonal bipyramids. is represented by the CIF card [CIF]
data_K3(VS2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.848
_cell_length_b   8.673
_cell_length_c   8.994
_cell_angle_alpha   107.394
_cell_angle_beta   108.925
_cell_angle_gamma   103.033
_symmetry_Int_Tables_number   1
_cell_volume   384.626
_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
  K  K0  1  0.265  0.502  0.196  1.0
  K  K1  1  0.052  0.507  0.804  1.0
  K  K2  1  0.860  0.498  0.401  1.0
  V  V3  1  0.987  0.002  0.002  1.0
  V  V4  1  0.811  0.002  0.607  1.0
  V  V5  1  0.603  0.001  0.178  1.0
  V  V6  1  0.394  0.004  0.785  1.0
  V  V7  1  0.211  0.999  0.426  1.0
  S  S8  1  0.179  0.831  0.138  1.0
  S  S9  1  0.972  0.821  0.730  1.0
  S  S10  1  0.629  0.172  0.467  1.0
  S  S11  1  0.774  0.823  0.328  1.0
  S  S12  1  0.427  0.181  0.066  1.0
  S  S13  1  0.565  0.815  0.919  1.0
  S  S14  1  0.241  0.193  0.680  1.0
  S  S15  1  0.375  0.812  0.530  1.0
  S  S16  1  0.040  0.181  0.281  1.0
  S  S17  1  0.830  0.186  0.874  1.0
[/CIF]
.