The material structure described by V3S5 is beta indium sulfide-like structured and crystallizes in the triclinic P-1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one S(1), one S(2), two equivalent S(3), and two equivalent S(5) atoms to form a mixture of edge and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. In the second V site, V(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(4) atoms to form a mixture of edge and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 46-48°. In the third V site, V(3) is bonded to one S(1), one S(2), one S(3), one S(5), and two equivalent S(4) atoms to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles are 45°. In the fourth V site, V(4) is bonded to two equivalent S(1), two equivalent S(3), and two equivalent S(4) atoms to form a mixture of face and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. There are five inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one V(1), one V(2), one V(3), and one V(4) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(3) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one V(3), one V(4), and two equivalent V(1) atoms. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one V(2), one V(4), and two equivalent V(3) atoms. In the fifth S site, S(5) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V3S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.790
_cell_length_b   6.659
_cell_length_c   8.138
_cell_angle_alpha   71.787
_cell_angle_beta   110.156
_cell_angle_gamma   88.993
_symmetry_Int_Tables_number   1
_cell_volume   277.018
_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
  V  V0  1  0.781  0.422  0.582  1.0
  V  V1  1  0.419  0.178  0.818  1.0
  V  V2  1  0.600  0.800  0.200  1.0
  V  V3  1  0.986  0.016  0.970  1.0
  V  V4  1  0.214  0.584  0.430  1.0
  V  V5  1  0.100  0.300  0.200  1.0
  S  S6  1  0.719  0.149  0.098  1.0
  S  S7  1  0.911  0.750  0.500  1.0
  S  S8  1  0.114  0.349  0.890  1.0
  S  S9  1  0.304  0.941  0.292  1.0
  S  S10  1  0.518  0.547  0.705  1.0
  S  S11  1  0.896  0.659  0.108  1.0
  S  S12  1  0.086  0.251  0.510  1.0
  S  S13  1  0.289  0.850  0.900  1.0
  S  S14  1  0.481  0.451  0.302  1.0
  S  S15  1  0.682  0.053  0.695  1.0
[/CIF]
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The material structure described by V3S5 is beta indium sulfide-like structured and crystallizes in the triclinic P-1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one S(1), one S(2), two equivalent S(3), and two equivalent S(5) atoms to form a mixture of edge and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. In the second V site, V(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(4) atoms to form a mixture of edge and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 46-48°. In the third V site, V(3) is bonded to one S(1), one S(2), one S(3), one S(5), and two equivalent S(4) atoms to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles are 45°. In the fourth V site, V(4) is bonded to two equivalent S(1), two equivalent S(3), and two equivalent S(4) atoms to form a mixture of face and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. There are five inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one V(1), one V(2), one V(3), and one V(4) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(3) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one V(3), one V(4), and two equivalent V(1) atoms. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one V(2), one V(4), and two equivalent V(3) atoms. In the fifth S site, S(5) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V3S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.790
_cell_length_b   6.659
_cell_length_c   8.138
_cell_angle_alpha   71.787
_cell_angle_beta   110.156
_cell_angle_gamma   88.993
_symmetry_Int_Tables_number   1
_cell_volume   277.018
_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
  V  V0  1  0.781  0.422  0.582  1.0
  V  V1  1  0.419  0.178  0.818  1.0
  V  V2  1  0.600  0.800  0.200  1.0
  V  V3  1  0.986  0.016  0.970  1.0
  V  V4  1  0.214  0.584  0.430  1.0
  V  V5  1  0.100  0.300  0.200  1.0
  S  S6  1  0.719  0.149  0.098  1.0
  S  S7  1  0.911  0.750  0.500  1.0
  S  S8  1  0.114  0.349  0.890  1.0
  S  S9  1  0.304  0.941  0.292  1.0
  S  S10  1  0.518  0.547  0.705  1.0
  S  S11  1  0.896  0.659  0.108  1.0
  S  S12  1  0.086  0.251  0.510  1.0
  S  S13  1  0.289  0.850  0.900  1.0
  S  S14  1  0.481  0.451  0.302  1.0
  S  S15  1  0.682  0.053  0.695  1.0
[/CIF]
.