The structure described by TiCuSnS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Ti(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form TiS6 octahedra that share corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Ti(1)S6 octahedra, and edges with four equivalent Sn(1)S6 octahedra. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with six equivalent Ti(1)S6 octahedra and corners with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. Sn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form SnS6 octahedra that share corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Sn(1)S6 octahedra, and edges with four equivalent Ti(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Cu(1), and two equivalent Sn(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to two equivalent Ti(1), one Cu(1), and one Sn(1) atom. is represented by the CIF file [CIF]
data_TiCuSnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.331
_cell_length_b   7.331
_cell_length_c   7.331
_cell_angle_alpha   121.565
_cell_angle_beta   118.793
_cell_angle_gamma   89.707
_symmetry_Int_Tables_number   1
_cell_volume   277.684
_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
  Ti  Ti0  1  0.000  0.000  0.500  1.0
  Ti  Ti1  1  0.000  0.500  0.000  1.0
  Cu  Cu2  1  0.380  0.630  0.750  1.0
  Cu  Cu3  1  0.620  0.370  0.250  1.0
  Sn  Sn4  1  0.000  0.000  0.000  1.0
  Sn  Sn5  1  0.500  0.000  0.500  1.0
  S  S6  1  0.234  0.728  0.994  1.0
  S  S7  1  0.234  0.240  0.506  1.0
  S  S8  1  0.229  0.747  0.482  1.0
  S  S9  1  0.765  0.747  0.018  1.0
  S  S10  1  0.766  0.272  0.006  1.0
  S  S11  1  0.766  0.760  0.494  1.0
  S  S12  1  0.771  0.253  0.518  1.0
  S  S13  1  0.235  0.253  0.982  1.0
[/CIF]
.
The structure described by TiCuSnS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Ti(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form TiS6 octahedra that share corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Ti(1)S6 octahedra, and edges with four equivalent Sn(1)S6 octahedra. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with six equivalent Ti(1)S6 octahedra and corners with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. Sn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form SnS6 octahedra that share corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Sn(1)S6 octahedra, and edges with four equivalent Ti(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Cu(1), and two equivalent Sn(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to two equivalent Ti(1), one Cu(1), and one Sn(1) atom. is represented by the CIF file [CIF]
data_TiCuSnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.331
_cell_length_b   7.331
_cell_length_c   7.331
_cell_angle_alpha   121.565
_cell_angle_beta   118.793
_cell_angle_gamma   89.707
_symmetry_Int_Tables_number   1
_cell_volume   277.684
_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
  Ti  Ti0  1  0.000  0.000  0.500  1.0
  Ti  Ti1  1  0.000  0.500  0.000  1.0
  Cu  Cu2  1  0.380  0.630  0.750  1.0
  Cu  Cu3  1  0.620  0.370  0.250  1.0
  Sn  Sn4  1  0.000  0.000  0.000  1.0
  Sn  Sn5  1  0.500  0.000  0.500  1.0
  S  S6  1  0.234  0.728  0.994  1.0
  S  S7  1  0.234  0.240  0.506  1.0
  S  S8  1  0.229  0.747  0.482  1.0
  S  S9  1  0.765  0.747  0.018  1.0
  S  S10  1  0.766  0.272  0.006  1.0
  S  S11  1  0.766  0.760  0.494  1.0
  S  S12  1  0.771  0.253  0.518  1.0
  S  S13  1  0.235  0.253  0.982  1.0
[/CIF]
.