The material structure described by V5S8 is beta indium sulfide-like structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent S(1) and four equivalent S(3) atoms to form a mixture of corner and face-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the second V site, V(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form a mixture of distorted corner and edge-sharing VS6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the third V site, V(3) is bonded to one S(1), one S(2), and four equivalent S(3) atoms to form a mixture of corner, edge, and face-sharing VS6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are three inequivalent S sites. In the first S site, S(1) is bonded to one V(1), one V(3), and two equivalent V(2) atoms to form a mixture of corner and edge-sharing SV4 trigonal pyramids. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(2) atoms. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one V(1), one V(2), and two equivalent V(3) atoms. is represented by the CIF file [CIF]
data_V5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.670
_cell_length_b   6.670
_cell_length_c   7.995
_cell_angle_alpha   52.493
_cell_angle_beta   52.493
_cell_angle_gamma   60.095
_symmetry_Int_Tables_number   1
_cell_volume   219.186
_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  0.000  1.0
  V  V1  1  0.710  0.290  0.500  1.0
  V  V2  1  0.290  0.710  0.500  1.0
  V  V3  1  0.273  0.273  0.488  1.0
  V  V4  1  0.727  0.727  0.512  1.0
  S  S5  1  0.015  0.015  0.290  1.0
  S  S6  1  0.985  0.985  0.710  1.0
  S  S7  1  0.557  0.557  0.225  1.0
  S  S8  1  0.443  0.443  0.775  1.0
  S  S9  1  0.035  0.536  0.253  1.0
  S  S10  1  0.464  0.965  0.747  1.0
  S  S11  1  0.536  0.035  0.253  1.0
  S  S12  1  0.965  0.464  0.747  1.0
[/CIF]
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The material structure described by V5S8 is beta indium sulfide-like structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent S(1) and four equivalent S(3) atoms to form a mixture of corner and face-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the second V site, V(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form a mixture of distorted corner and edge-sharing VS6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the third V site, V(3) is bonded to one S(1), one S(2), and four equivalent S(3) atoms to form a mixture of corner, edge, and face-sharing VS6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are three inequivalent S sites. In the first S site, S(1) is bonded to one V(1), one V(3), and two equivalent V(2) atoms to form a mixture of corner and edge-sharing SV4 trigonal pyramids. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(2) atoms. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one V(1), one V(2), and two equivalent V(3) atoms. is represented by the CIF file [CIF]
data_V5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.670
_cell_length_b   6.670
_cell_length_c   7.995
_cell_angle_alpha   52.493
_cell_angle_beta   52.493
_cell_angle_gamma   60.095
_symmetry_Int_Tables_number   1
_cell_volume   219.186
_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  0.000  1.0
  V  V1  1  0.710  0.290  0.500  1.0
  V  V2  1  0.290  0.710  0.500  1.0
  V  V3  1  0.273  0.273  0.488  1.0
  V  V4  1  0.727  0.727  0.512  1.0
  S  S5  1  0.015  0.015  0.290  1.0
  S  S6  1  0.985  0.985  0.710  1.0
  S  S7  1  0.557  0.557  0.225  1.0
  S  S8  1  0.443  0.443  0.775  1.0
  S  S9  1  0.035  0.536  0.253  1.0
  S  S10  1  0.464  0.965  0.747  1.0
  S  S11  1  0.536  0.035  0.253  1.0
  S  S12  1  0.965  0.464  0.747  1.0
[/CIF]
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