The crystal structure described by V3S4 is Corundum-like structured and crystallizes in the hexagonal P6_3/m space group. V(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form a mixture of distorted face, corner, and edge-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. There are two inequivalent S sites. In the first S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent V(1) atoms. In the second S site, S(1) is bonded to six equivalent V(1) atoms to form distorted face-sharing SV6 pentagonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_V3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.078
_cell_length_b   9.078
_cell_length_c   3.246
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   231.657
_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  0.511  0.884  0.750  1.0
  V  V1  1  0.628  0.511  0.250  1.0
  V  V2  1  0.884  0.372  0.250  1.0
  V  V3  1  0.116  0.628  0.750  1.0
  V  V4  1  0.372  0.489  0.750  1.0
  V  V5  1  0.489  0.116  0.250  1.0
  S  S6  1  0.667  0.333  0.750  1.0
  S  S7  1  0.333  0.667  0.250  1.0
  S  S8  1  0.654  0.705  0.750  1.0
  S  S9  1  0.948  0.654  0.250  1.0
  S  S10  1  0.705  0.052  0.250  1.0
  S  S11  1  0.295  0.948  0.750  1.0
  S  S12  1  0.346  0.295  0.250  1.0
  S  S13  1  0.052  0.346  0.750  1.0
[/CIF]
.
The crystal structure described by V3S4 is Corundum-like structured and crystallizes in the hexagonal P6_3/m space group. V(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form a mixture of distorted face, corner, and edge-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. There are two inequivalent S sites. In the first S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent V(1) atoms. In the second S site, S(1) is bonded to six equivalent V(1) atoms to form distorted face-sharing SV6 pentagonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_V3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.078
_cell_length_b   9.078
_cell_length_c   3.246
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   231.657
_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  0.511  0.884  0.750  1.0
  V  V1  1  0.628  0.511  0.250  1.0
  V  V2  1  0.884  0.372  0.250  1.0
  V  V3  1  0.116  0.628  0.750  1.0
  V  V4  1  0.372  0.489  0.750  1.0
  V  V5  1  0.489  0.116  0.250  1.0
  S  S6  1  0.667  0.333  0.750  1.0
  S  S7  1  0.333  0.667  0.250  1.0
  S  S8  1  0.654  0.705  0.750  1.0
  S  S9  1  0.948  0.654  0.250  1.0
  S  S10  1  0.705  0.052  0.250  1.0
  S  S11  1  0.295  0.948  0.750  1.0
  S  S12  1  0.346  0.295  0.250  1.0
  S  S13  1  0.052  0.346  0.750  1.0
[/CIF]
.