The crystal structure described by Ti2V2GaS8 crystallizes in the orthorhombic Imm2 space group. Ti(1) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms to form TiS6 octahedra that share corners with three equivalent Ga(1)S4 tetrahedra, edges with two equivalent Ti(1)S6 octahedra, and edges with four equivalent V(1)S6 octahedra. V(1) is bonded to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms to form VS6 octahedra that share corners with three equivalent Ga(1)S4 tetrahedra, edges with two equivalent V(1)S6 octahedra, and edges with four equivalent Ti(1)S6 octahedra. Ga(1) is bonded to two equivalent S(3) and two equivalent S(4) atoms to form GaS4 tetrahedra that share corners with six equivalent Ti(1)S6 octahedra and corners with six equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 60-64°. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one V(1) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent V(1) atoms. In the third S site, S(3) is bonded to two equivalent Ti(1), one V(1), and one Ga(1) atom to form STi2VGa tetrahedra that share  a cornercorner with one S(3)Ti2VGa tetrahedra, corners with two equivalent S(4)TiV2Ga tetrahedra,  an edgeedge with one S(3)Ti2VGa tetrahedra, and edges with two equivalent S(4)TiV2Ga tetrahedra. In the fourth S site, S(4) is bonded to one Ti(1), two equivalent V(1), and one Ga(1) atom to form STiV2Ga tetrahedra that share  a cornercorner with one S(4)TiV2Ga tetrahedra, corners with two equivalent S(3)Ti2VGa tetrahedra,  an edgeedge with one S(4)TiV2Ga tetrahedra, and edges with two equivalent S(3)Ti2VGa tetrahedra. is represented by the CIF file [CIF]
data_Ti2V2GaS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.021
_cell_length_b   7.021
_cell_length_c   7.021
_cell_angle_alpha   120.378
_cell_angle_beta   119.931
_cell_angle_gamma   89.733
_symmetry_Int_Tables_number   1
_cell_volume   244.169
_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
  Ti  Ti0  1  0.619  0.392  0.226  1.0
  Ti  Ti1  1  0.166  0.392  0.774  1.0
  V  V2  1  0.611  0.393  0.782  1.0
  V  V3  1  0.611  0.829  0.218  1.0
  Ga  Ga4  1  0.003  0.003  0.000  1.0
  S  S5  1  0.374  0.622  0.249  1.0
  S  S6  1  0.374  0.125  0.751  1.0
  S  S7  1  0.374  0.627  0.747  1.0
  S  S8  1  0.880  0.627  0.253  1.0
  S  S9  1  0.862  0.126  0.263  1.0
  S  S10  1  0.862  0.599  0.737  1.0
  S  S11  1  0.858  0.133  0.725  1.0
  S  S12  1  0.408  0.133  0.275  1.0
[/CIF]
.
The crystal structure described by Ti2V2GaS8 crystallizes in the orthorhombic Imm2 space group. Ti(1) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms to form TiS6 octahedra that share corners with three equivalent Ga(1)S4 tetrahedra, edges with two equivalent Ti(1)S6 octahedra, and edges with four equivalent V(1)S6 octahedra. V(1) is bonded to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms to form VS6 octahedra that share corners with three equivalent Ga(1)S4 tetrahedra, edges with two equivalent V(1)S6 octahedra, and edges with four equivalent Ti(1)S6 octahedra. Ga(1) is bonded to two equivalent S(3) and two equivalent S(4) atoms to form GaS4 tetrahedra that share corners with six equivalent Ti(1)S6 octahedra and corners with six equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 60-64°. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one V(1) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent V(1) atoms. In the third S site, S(3) is bonded to two equivalent Ti(1), one V(1), and one Ga(1) atom to form STi2VGa tetrahedra that share  a cornercorner with one S(3)Ti2VGa tetrahedra, corners with two equivalent S(4)TiV2Ga tetrahedra,  an edgeedge with one S(3)Ti2VGa tetrahedra, and edges with two equivalent S(4)TiV2Ga tetrahedra. In the fourth S site, S(4) is bonded to one Ti(1), two equivalent V(1), and one Ga(1) atom to form STiV2Ga tetrahedra that share  a cornercorner with one S(4)TiV2Ga tetrahedra, corners with two equivalent S(3)Ti2VGa tetrahedra,  an edgeedge with one S(4)TiV2Ga tetrahedra, and edges with two equivalent S(3)Ti2VGa tetrahedra. is represented by the CIF file [CIF]
data_Ti2V2GaS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.021
_cell_length_b   7.021
_cell_length_c   7.021
_cell_angle_alpha   120.378
_cell_angle_beta   119.931
_cell_angle_gamma   89.733
_symmetry_Int_Tables_number   1
_cell_volume   244.169
_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
  Ti  Ti0  1  0.619  0.392  0.226  1.0
  Ti  Ti1  1  0.166  0.392  0.774  1.0
  V  V2  1  0.611  0.393  0.782  1.0
  V  V3  1  0.611  0.829  0.218  1.0
  Ga  Ga4  1  0.003  0.003  0.000  1.0
  S  S5  1  0.374  0.622  0.249  1.0
  S  S6  1  0.374  0.125  0.751  1.0
  S  S7  1  0.374  0.627  0.747  1.0
  S  S8  1  0.880  0.627  0.253  1.0
  S  S9  1  0.862  0.126  0.263  1.0
  S  S10  1  0.862  0.599  0.737  1.0
  S  S11  1  0.858  0.133  0.725  1.0
  S  S12  1  0.408  0.133  0.275  1.0
[/CIF]
.