The material structure described by V7S8 crystallizes in the trigonal P-3m1 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to six equivalent S(1) atoms to form a mixture of corner and edge-sharing VS6 octahedra. The corner-sharing octahedral tilt angles are 45°. In the second V site, V(2) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form a mixture of corner, face, and edge-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 45-47°. In the third V site, V(3) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form a mixture of corner, face, and edge-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 45-47°. There are two inequivalent S sites. In the first S site, S(1) is bonded to one V(1), two equivalent V(2), and two equivalent V(3) atoms to form distorted SV5 trigonal bipyramids that share corners with nine equivalent S(1)V5 trigonal bipyramids, edges with four equivalent S(2)V6 pentagonal pyramids, and edges with four equivalent S(1)V5 trigonal bipyramids. In the second S site, S(2) is bonded to three equivalent V(2) and three equivalent V(3) atoms to form distorted SV6 pentagonal pyramids that share corners with six equivalent S(2)V6 pentagonal pyramids and edges with twelve equivalent S(1)V5 trigonal bipyramids. is represented by the CIF file [CIF]
data_V7S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.383
_cell_length_b   6.383
_cell_length_c   6.050
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   213.433
_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  0.500  0.000  0.500  1.0
  V  V2  1  0.000  0.500  0.500  1.0
  V  V3  1  0.500  0.500  0.500  1.0
  V  V4  1  0.000  0.500  0.000  1.0
  V  V5  1  0.500  0.500  0.000  1.0
  V  V6  1  0.500  0.000  0.000  1.0
  S  S7  1  0.164  0.328  0.747  1.0
  S  S8  1  0.672  0.836  0.747  1.0
  S  S9  1  0.328  0.164  0.253  1.0
  S  S10  1  0.164  0.836  0.747  1.0
  S  S11  1  0.836  0.672  0.253  1.0
  S  S12  1  0.836  0.164  0.253  1.0
  S  S13  1  0.333  0.667  0.249  1.0
  S  S14  1  0.667  0.333  0.751  1.0
[/CIF]
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The material structure described by V7S8 crystallizes in the trigonal P-3m1 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to six equivalent S(1) atoms to form a mixture of corner and edge-sharing VS6 octahedra. The corner-sharing octahedral tilt angles are 45°. In the second V site, V(2) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form a mixture of corner, face, and edge-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 45-47°. In the third V site, V(3) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form a mixture of corner, face, and edge-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 45-47°. There are two inequivalent S sites. In the first S site, S(1) is bonded to one V(1), two equivalent V(2), and two equivalent V(3) atoms to form distorted SV5 trigonal bipyramids that share corners with nine equivalent S(1)V5 trigonal bipyramids, edges with four equivalent S(2)V6 pentagonal pyramids, and edges with four equivalent S(1)V5 trigonal bipyramids. In the second S site, S(2) is bonded to three equivalent V(2) and three equivalent V(3) atoms to form distorted SV6 pentagonal pyramids that share corners with six equivalent S(2)V6 pentagonal pyramids and edges with twelve equivalent S(1)V5 trigonal bipyramids. is represented by the CIF file [CIF]
data_V7S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.383
_cell_length_b   6.383
_cell_length_c   6.050
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   213.433
_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  0.500  0.000  0.500  1.0
  V  V2  1  0.000  0.500  0.500  1.0
  V  V3  1  0.500  0.500  0.500  1.0
  V  V4  1  0.000  0.500  0.000  1.0
  V  V5  1  0.500  0.500  0.000  1.0
  V  V6  1  0.500  0.000  0.000  1.0
  S  S7  1  0.164  0.328  0.747  1.0
  S  S8  1  0.672  0.836  0.747  1.0
  S  S9  1  0.328  0.164  0.253  1.0
  S  S10  1  0.164  0.836  0.747  1.0
  S  S11  1  0.836  0.672  0.253  1.0
  S  S12  1  0.836  0.164  0.253  1.0
  S  S13  1  0.333  0.667  0.249  1.0
  S  S14  1  0.667  0.333  0.751  1.0
[/CIF]
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