The structure described by Li2VCrS4 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form LiS6 octahedra that share corners with six equivalent V(1)S6 octahedra, corners with six equivalent Cr(1)S6 octahedra, edges with six equivalent Li(1)S6 octahedra,  a faceface with one V(1)S6 octahedra, and  a faceface with one Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. V(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form VS6 octahedra that share corners with twelve equivalent Li(1)S6 octahedra, edges with two equivalent V(1)S6 octahedra, edges with four equivalent Cr(1)S6 octahedra, and faces with two equivalent Li(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. Cr(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CrS6 octahedra that share corners with twelve equivalent Li(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, edges with four equivalent V(1)S6 octahedra, and faces with two equivalent Li(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Li(1), two equivalent V(1), and one Cr(1) atom to form distorted SLi3V2Cr pentagonal pyramids that share corners with three equivalent S(1)Li3V2Cr pentagonal pyramids, corners with three equivalent S(2)Li3VCr2 pentagonal pyramids, edges with five equivalent S(1)Li3V2Cr pentagonal pyramids, and edges with seven equivalent S(2)Li3VCr2 pentagonal pyramids. In the second S site, S(2) is bonded to three equivalent Li(1), one V(1), and two equivalent Cr(1) atoms to form distorted SLi3VCr2 pentagonal pyramids that share corners with three equivalent S(1)Li3V2Cr pentagonal pyramids, corners with three equivalent S(2)Li3VCr2 pentagonal pyramids, edges with five equivalent S(2)Li3VCr2 pentagonal pyramids, and edges with seven equivalent S(1)Li3V2Cr pentagonal pyramids. is represented by the CIF card [CIF]
data_Li2VCrS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.920
_cell_length_b   6.920
_cell_length_c   6.142
_cell_angle_alpha   63.973
_cell_angle_beta   63.973
_cell_angle_gamma   28.995
_symmetry_Int_Tables_number   1
_cell_volume   127.075
_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
  Li  Li0  1  0.250  0.250  0.749  1.0
  Li  Li1  1  0.750  0.750  0.251  1.0
  V  V2  1  0.500  0.500  0.500  1.0
  Cr  Cr3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.887  0.887  0.783  1.0
  S  S5  1  0.388  0.388  0.277  1.0
  S  S6  1  0.113  0.113  0.217  1.0
  S  S7  1  0.612  0.612  0.723  1.0
[/CIF]
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The structure described by Li2VCrS4 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form LiS6 octahedra that share corners with six equivalent V(1)S6 octahedra, corners with six equivalent Cr(1)S6 octahedra, edges with six equivalent Li(1)S6 octahedra,  a faceface with one V(1)S6 octahedra, and  a faceface with one Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. V(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form VS6 octahedra that share corners with twelve equivalent Li(1)S6 octahedra, edges with two equivalent V(1)S6 octahedra, edges with four equivalent Cr(1)S6 octahedra, and faces with two equivalent Li(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. Cr(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CrS6 octahedra that share corners with twelve equivalent Li(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, edges with four equivalent V(1)S6 octahedra, and faces with two equivalent Li(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Li(1), two equivalent V(1), and one Cr(1) atom to form distorted SLi3V2Cr pentagonal pyramids that share corners with three equivalent S(1)Li3V2Cr pentagonal pyramids, corners with three equivalent S(2)Li3VCr2 pentagonal pyramids, edges with five equivalent S(1)Li3V2Cr pentagonal pyramids, and edges with seven equivalent S(2)Li3VCr2 pentagonal pyramids. In the second S site, S(2) is bonded to three equivalent Li(1), one V(1), and two equivalent Cr(1) atoms to form distorted SLi3VCr2 pentagonal pyramids that share corners with three equivalent S(1)Li3V2Cr pentagonal pyramids, corners with three equivalent S(2)Li3VCr2 pentagonal pyramids, edges with five equivalent S(2)Li3VCr2 pentagonal pyramids, and edges with seven equivalent S(1)Li3V2Cr pentagonal pyramids. is represented by the CIF card [CIF]
data_Li2VCrS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.920
_cell_length_b   6.920
_cell_length_c   6.142
_cell_angle_alpha   63.973
_cell_angle_beta   63.973
_cell_angle_gamma   28.995
_symmetry_Int_Tables_number   1
_cell_volume   127.075
_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
  Li  Li0  1  0.250  0.250  0.749  1.0
  Li  Li1  1  0.750  0.750  0.251  1.0
  V  V2  1  0.500  0.500  0.500  1.0
  Cr  Cr3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.887  0.887  0.783  1.0
  S  S5  1  0.388  0.388  0.277  1.0
  S  S6  1  0.113  0.113  0.217  1.0
  S  S7  1  0.612  0.612  0.723  1.0
[/CIF]
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