The material described by V2CrS4 crystallizes in the monoclinic C2/m space group. V(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form distorted VS6 octahedra that share corners with six equivalent Cr(1)S6 octahedra, edges with six equivalent V(1)S6 octahedra, and  a faceface with one Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. Cr(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CrS6 octahedra that share corners with twelve equivalent V(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and faces with two equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. There are two inequivalent S sites. In the first S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent V(1) and one Cr(1) atom. In the second S site, S(1) is bonded in a 5-coordinate geometry to three equivalent V(1) and two equivalent Cr(1) atoms. is represented by the CIF card [CIF]
data_V2CrS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.473
_cell_length_b   6.473
_cell_length_c   5.846
_cell_angle_alpha   65.759
_cell_angle_beta   65.759
_cell_angle_gamma   29.442
_symmetry_Int_Tables_number   1
_cell_volume   109.030
_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
  V  V0  1  0.259  0.259  0.682  1.0
  V  V1  1  0.741  0.741  0.318  1.0
  Cr  Cr2  1  0.000  0.000  0.000  1.0
  S  S3  1  0.361  0.361  0.983  1.0
  S  S4  1  0.639  0.639  0.017  1.0
  S  S5  1  0.111  0.111  0.548  1.0
  S  S6  1  0.889  0.889  0.452  1.0
[/CIF]
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The material described by V2CrS4 crystallizes in the monoclinic C2/m space group. V(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form distorted VS6 octahedra that share corners with six equivalent Cr(1)S6 octahedra, edges with six equivalent V(1)S6 octahedra, and  a faceface with one Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. Cr(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CrS6 octahedra that share corners with twelve equivalent V(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and faces with two equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. There are two inequivalent S sites. In the first S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent V(1) and one Cr(1) atom. In the second S site, S(1) is bonded in a 5-coordinate geometry to three equivalent V(1) and two equivalent Cr(1) atoms. is represented by the CIF card [CIF]
data_V2CrS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.473
_cell_length_b   6.473
_cell_length_c   5.846
_cell_angle_alpha   65.759
_cell_angle_beta   65.759
_cell_angle_gamma   29.442
_symmetry_Int_Tables_number   1
_cell_volume   109.030
_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
  V  V0  1  0.259  0.259  0.682  1.0
  V  V1  1  0.741  0.741  0.318  1.0
  Cr  Cr2  1  0.000  0.000  0.000  1.0
  S  S3  1  0.361  0.361  0.983  1.0
  S  S4  1  0.639  0.639  0.017  1.0
  S  S5  1  0.111  0.111  0.548  1.0
  S  S6  1  0.889  0.889  0.452  1.0
[/CIF]
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