The crystal structure described by Y(VS2)2 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. Y(1) is bonded to four equivalent S(1) atoms to form YS4 tetrahedra that share corners with twelve equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. V(1) is bonded to six equivalent S(1) atoms to form VS6 octahedra that share corners with six equivalent Y(1)S4 tetrahedra and edges with six equivalent V(1)S6 octahedra. S(1) is bonded to one Y(1) and three equivalent V(1) atoms to form a mixture of distorted edge and corner-sharing SYV3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y(VS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.585
_cell_length_b   7.585
_cell_length_c   7.585
_cell_angle_alpha   121.984
_cell_angle_beta   121.984
_cell_angle_gamma   86.596
_symmetry_Int_Tables_number   1
_cell_volume   298.726
_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
  Y  Y0  1  0.500  0.500  0.000  1.0
  Y  Y1  1  0.250  0.750  0.500  1.0
  V  V2  1  0.375  0.125  0.250  1.0
  V  V3  1  0.875  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  0.672  0.898  0.774  1.0
  S  S7  1  0.102  0.875  0.774  1.0
  S  S8  1  0.102  0.328  0.226  1.0
  S  S9  1  0.078  0.352  0.726  1.0
  S  S10  1  0.625  0.352  0.274  1.0
  S  S11  1  0.648  0.375  0.726  1.0
  S  S12  1  0.125  0.898  0.226  1.0
  S  S13  1  0.648  0.922  0.274  1.0
[/CIF]
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The crystal structure described by Y(VS2)2 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. Y(1) is bonded to four equivalent S(1) atoms to form YS4 tetrahedra that share corners with twelve equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. V(1) is bonded to six equivalent S(1) atoms to form VS6 octahedra that share corners with six equivalent Y(1)S4 tetrahedra and edges with six equivalent V(1)S6 octahedra. S(1) is bonded to one Y(1) and three equivalent V(1) atoms to form a mixture of distorted edge and corner-sharing SYV3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y(VS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.585
_cell_length_b   7.585
_cell_length_c   7.585
_cell_angle_alpha   121.984
_cell_angle_beta   121.984
_cell_angle_gamma   86.596
_symmetry_Int_Tables_number   1
_cell_volume   298.726
_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
  Y  Y0  1  0.500  0.500  0.000  1.0
  Y  Y1  1  0.250  0.750  0.500  1.0
  V  V2  1  0.375  0.125  0.250  1.0
  V  V3  1  0.875  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  0.672  0.898  0.774  1.0
  S  S7  1  0.102  0.875  0.774  1.0
  S  S8  1  0.102  0.328  0.226  1.0
  S  S9  1  0.078  0.352  0.726  1.0
  S  S10  1  0.625  0.352  0.274  1.0
  S  S11  1  0.648  0.375  0.726  1.0
  S  S12  1  0.125  0.898  0.226  1.0
  S  S13  1  0.648  0.922  0.274  1.0
[/CIF]
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