The compound described by Li(VS2)2 crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form LiS6 octahedra that share corners with six equivalent V(2)S6 octahedra, edges with two equivalent Li(1)S6 octahedra, edges with two equivalent V(2)S6 octahedra, and edges with four equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. 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 V(1)S6 octahedra, edges with four equivalent Li(1)S6 octahedra, and edges with four equivalent V(2)S6 octahedra. In the second V site, V(2) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form VS6 octahedra that share corners with six equivalent Li(1)S6 octahedra, edges with two equivalent Li(1)S6 octahedra, edges with two equivalent V(2)S6 octahedra, and edges with four equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), and two equivalent V(1) atoms. In the second S site, S(2) is bonded to two equivalent Li(1), one V(1), and two equivalent V(2) atoms to form a mixture of corner and edge-sharing SLi2V3 square pyramids. is represented by the CIF card [CIF]
data_Li(VS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.925
_cell_length_b   6.925
_cell_length_c   6.925
_cell_angle_alpha   120.293
_cell_angle_beta   119.152
_cell_angle_gamma   90.484
_symmetry_Int_Tables_number   1
_cell_volume   235.823
_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
  Li  Li0  1  0.500  0.000  0.500  1.0
  Li  Li1  1  0.000  0.000  0.000  1.0
  V  V2  1  0.500  0.000  0.000  1.0
  V  V3  1  0.500  0.500  0.000  1.0
  V  V4  1  0.500  0.500  0.500  1.0
  V  V5  1  0.000  0.500  0.500  1.0
  S  S6  1  0.254  0.746  0.508  1.0
  S  S7  1  0.253  0.743  0.991  1.0
  S  S8  1  0.738  0.746  0.992  1.0
  S  S9  1  0.747  0.738  0.491  1.0
  S  S10  1  0.262  0.254  0.008  1.0
  S  S11  1  0.747  0.257  0.009  1.0
  S  S12  1  0.253  0.262  0.509  1.0
  S  S13  1  0.746  0.254  0.492  1.0
[/CIF]
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The compound described by Li(VS2)2 crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form LiS6 octahedra that share corners with six equivalent V(2)S6 octahedra, edges with two equivalent Li(1)S6 octahedra, edges with two equivalent V(2)S6 octahedra, and edges with four equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. 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 V(1)S6 octahedra, edges with four equivalent Li(1)S6 octahedra, and edges with four equivalent V(2)S6 octahedra. In the second V site, V(2) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form VS6 octahedra that share corners with six equivalent Li(1)S6 octahedra, edges with two equivalent Li(1)S6 octahedra, edges with two equivalent V(2)S6 octahedra, and edges with four equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), and two equivalent V(1) atoms. In the second S site, S(2) is bonded to two equivalent Li(1), one V(1), and two equivalent V(2) atoms to form a mixture of corner and edge-sharing SLi2V3 square pyramids. is represented by the CIF card [CIF]
data_Li(VS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.925
_cell_length_b   6.925
_cell_length_c   6.925
_cell_angle_alpha   120.293
_cell_angle_beta   119.152
_cell_angle_gamma   90.484
_symmetry_Int_Tables_number   1
_cell_volume   235.823
_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
  Li  Li0  1  0.500  0.000  0.500  1.0
  Li  Li1  1  0.000  0.000  0.000  1.0
  V  V2  1  0.500  0.000  0.000  1.0
  V  V3  1  0.500  0.500  0.000  1.0
  V  V4  1  0.500  0.500  0.500  1.0
  V  V5  1  0.000  0.500  0.500  1.0
  S  S6  1  0.254  0.746  0.508  1.0
  S  S7  1  0.253  0.743  0.991  1.0
  S  S8  1  0.738  0.746  0.992  1.0
  S  S9  1  0.747  0.738  0.491  1.0
  S  S10  1  0.262  0.254  0.008  1.0
  S  S11  1  0.747  0.257  0.009  1.0
  S  S12  1  0.253  0.262  0.509  1.0
  S  S13  1  0.746  0.254  0.492  1.0
[/CIF]
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