The material described by Mg(VS2)2 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. Mg(1) is bonded to four equivalent S(1) atoms to form MgS4 tetrahedra that share corners with twelve equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 53-62°. V(1) is bonded to six equivalent S(1) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent V(1)S6 octahedra. S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1) and three equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(VS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.319
_cell_length_b   7.319
_cell_length_c   7.319
_cell_angle_alpha   121.991
_cell_angle_beta   121.991
_cell_angle_gamma   86.586
_symmetry_Int_Tables_number   1
_cell_volume   268.357
_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
  Mg  Mg0  1  0.500  0.500  0.000  1.0
  Mg  Mg1  1  0.250  0.750  0.500  1.0
  V  V2  1  0.875  0.125  0.250  1.0
  V  V3  1  0.375  0.125  0.250  1.0
  V  V4  1  0.875  0.625  0.750  1.0
  V  V5  1  0.875  0.125  0.750  1.0
  S  S6  1  0.659  0.895  0.764  1.0
  S  S7  1  0.105  0.869  0.764  1.0
  S  S8  1  0.105  0.341  0.236  1.0
  S  S9  1  0.091  0.355  0.736  1.0
  S  S10  1  0.619  0.355  0.264  1.0
  S  S11  1  0.645  0.381  0.736  1.0
  S  S12  1  0.131  0.895  0.236  1.0
  S  S13  1  0.645  0.909  0.264  1.0
[/CIF]
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The material described by Mg(VS2)2 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. Mg(1) is bonded to four equivalent S(1) atoms to form MgS4 tetrahedra that share corners with twelve equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 53-62°. V(1) is bonded to six equivalent S(1) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent V(1)S6 octahedra. S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1) and three equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(VS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.319
_cell_length_b   7.319
_cell_length_c   7.319
_cell_angle_alpha   121.991
_cell_angle_beta   121.991
_cell_angle_gamma   86.586
_symmetry_Int_Tables_number   1
_cell_volume   268.357
_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
  Mg  Mg0  1  0.500  0.500  0.000  1.0
  Mg  Mg1  1  0.250  0.750  0.500  1.0
  V  V2  1  0.875  0.125  0.250  1.0
  V  V3  1  0.375  0.125  0.250  1.0
  V  V4  1  0.875  0.625  0.750  1.0
  V  V5  1  0.875  0.125  0.750  1.0
  S  S6  1  0.659  0.895  0.764  1.0
  S  S7  1  0.105  0.869  0.764  1.0
  S  S8  1  0.105  0.341  0.236  1.0
  S  S9  1  0.091  0.355  0.736  1.0
  S  S10  1  0.619  0.355  0.264  1.0
  S  S11  1  0.645  0.381  0.736  1.0
  S  S12  1  0.131  0.895  0.236  1.0
  S  S13  1  0.645  0.909  0.264  1.0
[/CIF]
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