The material structure described by V2Cr3S8Tl crystallizes in the monoclinic Cm space group. The structure consists of two 7440-28-0 atoms inside a V2Cr3S8 framework. In the V2Cr3S8 framework, there are two inequivalent V sites. In the first V site, V(1) is bonded to one S(4), one S(7), two equivalent S(2), and two equivalent S(3) atoms to form VS6 octahedra that share corners with two equivalent Cr(1)S6 octahedra, corners with two equivalent Cr(2)S6 octahedra, edges with two equivalent V(1)S6 octahedra, edges with two equivalent V(2)S6 octahedra, edges with two equivalent Cr(3)S6 octahedra, and  a faceface with one Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second V site, V(2) is bonded to one S(1), one S(2), two equivalent S(7), and two equivalent S(8) atoms to form VS6 octahedra that share corners with two equivalent Cr(1)S6 octahedra, corners with two equivalent Cr(2)S6 octahedra, edges with two equivalent V(1)S6 octahedra, edges with two equivalent V(2)S6 octahedra, and edges with two equivalent Cr(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(5), one S(7), two equivalent S(3), and two equivalent S(6) atoms to form CrS6 octahedra that share corners with two equivalent V(1)S6 octahedra, corners with two equivalent V(2)S6 octahedra, corners with two equivalent Cr(3)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and  a faceface with one V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the second Cr site, Cr(2) is bonded to one S(6), one S(8), two equivalent S(4), and two equivalent S(5) atoms to form CrS6 octahedra that share corners with two equivalent V(1)S6 octahedra, corners with two equivalent V(2)S6 octahedra, corners with two equivalent Cr(3)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and  a faceface with one Cr(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the third Cr site, Cr(3) is bonded to one S(3), one S(8), two equivalent S(1), and two equivalent S(4) atoms to form CrS6 octahedra that share corners with two equivalent Cr(1)S6 octahedra, corners with two equivalent Cr(2)S6 octahedra, edges with two equivalent V(1)S6 octahedra, edges with two equivalent V(2)S6 octahedra, edges with two equivalent Cr(3)S6 octahedra, and  a faceface with one Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent Cr(3) atoms. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent V(1) atoms. In the third S site, S(3) is bonded to two equivalent V(1), one Cr(3), and two equivalent Cr(1) atoms to form distorted SV2Cr3 trigonal bipyramids that share edges with two equivalent S(3)V2Cr3 trigonal bipyramids, edges with two equivalent S(4)VCr4 trigonal bipyramids, and edges with two equivalent S(7)V3Cr trigonal pyramids. In the fourth S site, S(4) is bonded to one V(1), two equivalent Cr(2), and two equivalent Cr(3) atoms to form distorted SVCr4 trigonal bipyramids that share  a cornercorner with one S(7)V3Cr trigonal pyramid, edges with two equivalent S(3)V2Cr3 trigonal bipyramids, and edges with two equivalent S(4)VCr4 trigonal bipyramids. In the fifth S site, S(5) is bonded in a distorted T-shaped geometry to one Cr(1) and two equivalent Cr(2) atoms. In the sixth S site, S(6) is bonded in a distorted T-shaped geometry to one Cr(2) and two equivalent Cr(1) atoms. In the seventh S site, S(7) is bonded to one V(1), two equivalent V(2), and one Cr(1) atom to form SV3Cr trigonal pyramids that share  a cornercorner with one S(4)VCr4 trigonal bipyramid, corners with two equivalent S(7)V3Cr trigonal pyramids, and edges with two equivalent S(3)V2Cr3 trigonal bipyramids. In the eighth S site, S(8) is bonded in a rectangular see-saw-like geometry to two equivalent V(2), one Cr(2), and one Cr(3) atom. is represented by the CIF file [CIF]
data_TlV2Cr3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.976
_cell_length_b   8.976
_cell_length_c   8.725
_cell_angle_alpha   76.797
_cell_angle_beta   76.797
_cell_angle_gamma   22.374
_symmetry_Int_Tables_number   1
_cell_volume   260.263
_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
  Tl  Tl0  1  0.002  0.002  0.996  1.0
  V  V1  1  0.851  0.851  0.480  1.0
  V  V2  1  0.492  0.492  0.497  1.0
  Cr  Cr3  1  0.794  0.794  0.836  1.0
  Cr  Cr4  1  0.203  0.203  0.167  1.0
  Cr  Cr5  1  0.159  0.159  0.522  1.0
  S  S6  1  0.587  0.587  0.664  1.0
  S  S7  1  0.413  0.413  0.317  1.0
  S  S8  1  0.263  0.263  0.656  1.0
  S  S9  1  0.739  0.739  0.347  1.0
  S  S10  1  0.670  0.670  0.013  1.0
  S  S11  1  0.328  0.328  0.989  1.0
  S  S12  1  0.926  0.926  0.667  1.0
  S  S13  1  0.074  0.074  0.348  1.0
[/CIF]
.
The material structure described by V2Cr3S8Tl crystallizes in the monoclinic Cm space group. The structure consists of two 7440-28-0 atoms inside a V2Cr3S8 framework. In the V2Cr3S8 framework, there are two inequivalent V sites. In the first V site, V(1) is bonded to one S(4), one S(7), two equivalent S(2), and two equivalent S(3) atoms to form VS6 octahedra that share corners with two equivalent Cr(1)S6 octahedra, corners with two equivalent Cr(2)S6 octahedra, edges with two equivalent V(1)S6 octahedra, edges with two equivalent V(2)S6 octahedra, edges with two equivalent Cr(3)S6 octahedra, and  a faceface with one Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second V site, V(2) is bonded to one S(1), one S(2), two equivalent S(7), and two equivalent S(8) atoms to form VS6 octahedra that share corners with two equivalent Cr(1)S6 octahedra, corners with two equivalent Cr(2)S6 octahedra, edges with two equivalent V(1)S6 octahedra, edges with two equivalent V(2)S6 octahedra, and edges with two equivalent Cr(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(5), one S(7), two equivalent S(3), and two equivalent S(6) atoms to form CrS6 octahedra that share corners with two equivalent V(1)S6 octahedra, corners with two equivalent V(2)S6 octahedra, corners with two equivalent Cr(3)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and  a faceface with one V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the second Cr site, Cr(2) is bonded to one S(6), one S(8), two equivalent S(4), and two equivalent S(5) atoms to form CrS6 octahedra that share corners with two equivalent V(1)S6 octahedra, corners with two equivalent V(2)S6 octahedra, corners with two equivalent Cr(3)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and  a faceface with one Cr(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the third Cr site, Cr(3) is bonded to one S(3), one S(8), two equivalent S(1), and two equivalent S(4) atoms to form CrS6 octahedra that share corners with two equivalent Cr(1)S6 octahedra, corners with two equivalent Cr(2)S6 octahedra, edges with two equivalent V(1)S6 octahedra, edges with two equivalent V(2)S6 octahedra, edges with two equivalent Cr(3)S6 octahedra, and  a faceface with one Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent Cr(3) atoms. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent V(1) atoms. In the third S site, S(3) is bonded to two equivalent V(1), one Cr(3), and two equivalent Cr(1) atoms to form distorted SV2Cr3 trigonal bipyramids that share edges with two equivalent S(3)V2Cr3 trigonal bipyramids, edges with two equivalent S(4)VCr4 trigonal bipyramids, and edges with two equivalent S(7)V3Cr trigonal pyramids. In the fourth S site, S(4) is bonded to one V(1), two equivalent Cr(2), and two equivalent Cr(3) atoms to form distorted SVCr4 trigonal bipyramids that share  a cornercorner with one S(7)V3Cr trigonal pyramid, edges with two equivalent S(3)V2Cr3 trigonal bipyramids, and edges with two equivalent S(4)VCr4 trigonal bipyramids. In the fifth S site, S(5) is bonded in a distorted T-shaped geometry to one Cr(1) and two equivalent Cr(2) atoms. In the sixth S site, S(6) is bonded in a distorted T-shaped geometry to one Cr(2) and two equivalent Cr(1) atoms. In the seventh S site, S(7) is bonded to one V(1), two equivalent V(2), and one Cr(1) atom to form SV3Cr trigonal pyramids that share  a cornercorner with one S(4)VCr4 trigonal bipyramid, corners with two equivalent S(7)V3Cr trigonal pyramids, and edges with two equivalent S(3)V2Cr3 trigonal bipyramids. In the eighth S site, S(8) is bonded in a rectangular see-saw-like geometry to two equivalent V(2), one Cr(2), and one Cr(3) atom. is represented by the CIF file [CIF]
data_TlV2Cr3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.976
_cell_length_b   8.976
_cell_length_c   8.725
_cell_angle_alpha   76.797
_cell_angle_beta   76.797
_cell_angle_gamma   22.374
_symmetry_Int_Tables_number   1
_cell_volume   260.263
_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
  Tl  Tl0  1  0.002  0.002  0.996  1.0
  V  V1  1  0.851  0.851  0.480  1.0
  V  V2  1  0.492  0.492  0.497  1.0
  Cr  Cr3  1  0.794  0.794  0.836  1.0
  Cr  Cr4  1  0.203  0.203  0.167  1.0
  Cr  Cr5  1  0.159  0.159  0.522  1.0
  S  S6  1  0.587  0.587  0.664  1.0
  S  S7  1  0.413  0.413  0.317  1.0
  S  S8  1  0.263  0.263  0.656  1.0
  S  S9  1  0.739  0.739  0.347  1.0
  S  S10  1  0.670  0.670  0.013  1.0
  S  S11  1  0.328  0.328  0.989  1.0
  S  S12  1  0.926  0.926  0.667  1.0
  S  S13  1  0.074  0.074  0.348  1.0
[/CIF]
.