The compound described by KV5S8 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 10-coordinate geometry to two equivalent S(1), four equivalent S(2), and four equivalent S(3) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form a mixture of corner and edge-sharing VS6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second V site, V(2) is bonded to one S(1), two equivalent S(2), and three equivalent S(4) atoms to form a mixture of corner, face, and edge-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the third V site, V(3) is bonded to one S(1), two equivalent S(4), and three equivalent S(3) atoms to form a mixture of corner, face, and edge-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one K(1), one V(2), one V(3), and two equivalent V(1) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent K(1), one V(1), and two equivalent V(2) atoms. In the third S site, S(3) is bonded in a 5-coordinate geometry to two equivalent K(1) and three equivalent V(3) atoms. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to two equivalent V(3) and three equivalent V(2) atoms. is represented by the CIF file [CIF]
data_KV5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.312
_cell_length_b   8.785
_cell_length_c   8.882
_cell_angle_alpha   103.798
_cell_angle_beta   100.747
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   246.346
_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  0.500  0.500  0.000  1.0
  V  V1  1  0.000  0.000  0.000  1.0
  V  V2  1  0.353  0.013  0.706  1.0
  V  V3  1  0.647  0.987  0.294  1.0
  V  V4  1  0.292  0.667  0.584  1.0
  V  V5  1  0.708  0.333  0.416  1.0
  S  S6  1  0.574  0.168  0.148  1.0
  S  S7  1  0.426  0.832  0.852  1.0
  S  S8  1  0.084  0.817  0.167  1.0
  S  S9  1  0.916  0.183  0.833  1.0
  S  S10  1  0.165  0.492  0.331  1.0
  S  S11  1  0.835  0.508  0.669  1.0
  S  S12  1  0.240  0.150  0.480  1.0
  S  S13  1  0.760  0.850  0.520  1.0
[/CIF]
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The compound described by KV5S8 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 10-coordinate geometry to two equivalent S(1), four equivalent S(2), and four equivalent S(3) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form a mixture of corner and edge-sharing VS6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second V site, V(2) is bonded to one S(1), two equivalent S(2), and three equivalent S(4) atoms to form a mixture of corner, face, and edge-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the third V site, V(3) is bonded to one S(1), two equivalent S(4), and three equivalent S(3) atoms to form a mixture of corner, face, and edge-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one K(1), one V(2), one V(3), and two equivalent V(1) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent K(1), one V(1), and two equivalent V(2) atoms. In the third S site, S(3) is bonded in a 5-coordinate geometry to two equivalent K(1) and three equivalent V(3) atoms. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to two equivalent V(3) and three equivalent V(2) atoms. is represented by the CIF file [CIF]
data_KV5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.312
_cell_length_b   8.785
_cell_length_c   8.882
_cell_angle_alpha   103.798
_cell_angle_beta   100.747
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   246.346
_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  0.500  0.500  0.000  1.0
  V  V1  1  0.000  0.000  0.000  1.0
  V  V2  1  0.353  0.013  0.706  1.0
  V  V3  1  0.647  0.987  0.294  1.0
  V  V4  1  0.292  0.667  0.584  1.0
  V  V5  1  0.708  0.333  0.416  1.0
  S  S6  1  0.574  0.168  0.148  1.0
  S  S7  1  0.426  0.832  0.852  1.0
  S  S8  1  0.084  0.817  0.167  1.0
  S  S9  1  0.916  0.183  0.833  1.0
  S  S10  1  0.165  0.492  0.331  1.0
  S  S11  1  0.835  0.508  0.669  1.0
  S  S12  1  0.240  0.150  0.480  1.0
  S  S13  1  0.760  0.850  0.520  1.0
[/CIF]
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