The crystal structure described by Mg(VS2)4 crystallizes in the trigonal R-3m space group. Mg(1) is bonded to six equivalent S(1) atoms to form MgS6 octahedra that share corners with six equivalent V(2)S6 octahedra and edges with six equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two 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 VS6 octahedra that share edges with two equivalent Mg(1)S6 octahedra, edges with two equivalent V(2)S6 octahedra, and edges with four equivalent V(1)S6 octahedra. In the second V site, V(2) is bonded to six equivalent S(1) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S6 octahedra and edges with six equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(2), and two equivalent V(1) atoms. In the second S site, S(2) is bonded in a distorted T-shaped geometry to three equivalent V(1) atoms. is represented by the CIF card [CIF]
data_Mg(VS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.445
_cell_length_b   7.445
_cell_length_c   7.445
_cell_angle_alpha   51.954
_cell_angle_beta   51.954
_cell_angle_gamma   51.954
_symmetry_Int_Tables_number   1
_cell_volume   236.569
_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
  Mg  Mg0  1  0.500  0.500  0.500  1.0
  V  V1  1  0.000  0.500  0.500  1.0
  V  V2  1  0.500  0.000  0.500  1.0
  V  V3  1  0.500  0.500  0.000  1.0
  V  V4  1  0.000  0.000  0.000  1.0
  S  S5  1  0.257  0.758  0.758  1.0
  S  S6  1  0.242  0.242  0.743  1.0
  S  S7  1  0.743  0.242  0.242  1.0
  S  S8  1  0.242  0.743  0.242  1.0
  S  S9  1  0.259  0.259  0.259  1.0
  S  S10  1  0.741  0.741  0.741  1.0
  S  S11  1  0.758  0.257  0.758  1.0
  S  S12  1  0.758  0.758  0.257  1.0
[/CIF]
.
The crystal structure described by Mg(VS2)4 crystallizes in the trigonal R-3m space group. Mg(1) is bonded to six equivalent S(1) atoms to form MgS6 octahedra that share corners with six equivalent V(2)S6 octahedra and edges with six equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two 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 VS6 octahedra that share edges with two equivalent Mg(1)S6 octahedra, edges with two equivalent V(2)S6 octahedra, and edges with four equivalent V(1)S6 octahedra. In the second V site, V(2) is bonded to six equivalent S(1) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S6 octahedra and edges with six equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(2), and two equivalent V(1) atoms. In the second S site, S(2) is bonded in a distorted T-shaped geometry to three equivalent V(1) atoms. is represented by the CIF card [CIF]
data_Mg(VS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.445
_cell_length_b   7.445
_cell_length_c   7.445
_cell_angle_alpha   51.954
_cell_angle_beta   51.954
_cell_angle_gamma   51.954
_symmetry_Int_Tables_number   1
_cell_volume   236.569
_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
  Mg  Mg0  1  0.500  0.500  0.500  1.0
  V  V1  1  0.000  0.500  0.500  1.0
  V  V2  1  0.500  0.000  0.500  1.0
  V  V3  1  0.500  0.500  0.000  1.0
  V  V4  1  0.000  0.000  0.000  1.0
  S  S5  1  0.257  0.758  0.758  1.0
  S  S6  1  0.242  0.242  0.743  1.0
  S  S7  1  0.743  0.242  0.242  1.0
  S  S8  1  0.242  0.743  0.242  1.0
  S  S9  1  0.259  0.259  0.259  1.0
  S  S10  1  0.741  0.741  0.741  1.0
  S  S11  1  0.758  0.257  0.758  1.0
  S  S12  1  0.758  0.758  0.257  1.0
[/CIF]
.