The compound described by Mg(VS2)4 crystallizes in the cubic F-43m space group. Mg(1) is bonded to four equivalent S(2) atoms to form MgS4 tetrahedra that share corners with twelve equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles are 64°. V(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form VS6 octahedra that share corners with three equivalent Mg(1)S4 tetrahedra and edges with six equivalent V(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(2) is bonded to one Mg(1) and three equivalent V(1) atoms to form a mixture of corner and edge-sharing SMgV3 tetrahedra. In the second S site, S(1) is bonded in a distorted T-shaped geometry to three equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(VS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.985
_cell_length_b   6.985
_cell_length_c   6.984
_cell_angle_alpha   59.987
_cell_angle_beta   60.027
_cell_angle_gamma   60.010
_symmetry_Int_Tables_number   1
_cell_volume   240.997
_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  0.125  0.125  0.125  1.0
  V  V1  1  0.515  0.515  0.515  1.0
  V  V2  1  0.515  0.515  0.956  1.0
  V  V3  1  0.956  0.515  0.515  1.0
  V  V4  1  0.515  0.956  0.515  1.0
  S  S5  1  0.751  0.750  0.751  1.0
  S  S6  1  0.265  0.265  0.706  1.0
  S  S7  1  0.265  0.706  0.265  1.0
  S  S8  1  0.706  0.265  0.265  1.0
  S  S9  1  0.750  0.248  0.751  1.0
  S  S10  1  0.249  0.750  0.750  1.0
  S  S11  1  0.265  0.265  0.265  1.0
  S  S12  1  0.750  0.751  0.248  1.0
[/CIF]
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The compound described by Mg(VS2)4 crystallizes in the cubic F-43m space group. Mg(1) is bonded to four equivalent S(2) atoms to form MgS4 tetrahedra that share corners with twelve equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles are 64°. V(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form VS6 octahedra that share corners with three equivalent Mg(1)S4 tetrahedra and edges with six equivalent V(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(2) is bonded to one Mg(1) and three equivalent V(1) atoms to form a mixture of corner and edge-sharing SMgV3 tetrahedra. In the second S site, S(1) is bonded in a distorted T-shaped geometry to three equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(VS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.985
_cell_length_b   6.985
_cell_length_c   6.984
_cell_angle_alpha   59.987
_cell_angle_beta   60.027
_cell_angle_gamma   60.010
_symmetry_Int_Tables_number   1
_cell_volume   240.997
_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  0.125  0.125  0.125  1.0
  V  V1  1  0.515  0.515  0.515  1.0
  V  V2  1  0.515  0.515  0.956  1.0
  V  V3  1  0.956  0.515  0.515  1.0
  V  V4  1  0.515  0.956  0.515  1.0
  S  S5  1  0.751  0.750  0.751  1.0
  S  S6  1  0.265  0.265  0.706  1.0
  S  S7  1  0.265  0.706  0.265  1.0
  S  S8  1  0.706  0.265  0.265  1.0
  S  S9  1  0.750  0.248  0.751  1.0
  S  S10  1  0.249  0.750  0.750  1.0
  S  S11  1  0.265  0.265  0.265  1.0
  S  S12  1  0.750  0.751  0.248  1.0
[/CIF]
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