The structure described by NaTiVS4 crystallizes in the monoclinic Cm space group. Na(1) is bonded in a 6-coordinate geometry to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms. Ti(1) is bonded to one S(2), one S(3), two equivalent S(1), and two equivalent S(4) atoms to form TiS6 octahedra that share 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(4), two equivalent S(2), and two equivalent S(3) atoms to form VS6 octahedra that share edges with two equivalent V(1)S6 octahedra and edges with four equivalent Ti(1)S6 octahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Na(1), two equivalent Ti(1), and one V(1) atom to form SNa2Ti2V square pyramids that share corners with two equivalent S(3)Na2TiV2 trigonal bipyramids, edges with two equivalent S(1)Na2Ti2V square pyramids, and edges with three equivalent S(3)Na2TiV2 trigonal bipyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Na(1), one Ti(1), and two equivalent V(1) atoms. In the third S site, S(3) is bonded to two equivalent Na(1), one Ti(1), and two equivalent V(1) atoms to form distorted SNa2TiV2 trigonal bipyramids that share corners with two equivalent S(1)Na2Ti2V square pyramids, edges with three equivalent S(1)Na2Ti2V square pyramids, and edges with two equivalent S(3)Na2TiV2 trigonal bipyramids. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Na(1), two equivalent Ti(1), and one V(1) atom. is represented by the CIF file [CIF]
data_NaTiVS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.168
_cell_length_b   7.168
_cell_length_c   5.953
_cell_angle_alpha   82.407
_cell_angle_beta   82.407
_cell_angle_gamma   27.840
_symmetry_Int_Tables_number   1
_cell_volume   141.522
_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
  Na  Na0  1  0.244  0.244  0.904  1.0
  Ti  Ti1  1  0.493  0.493  0.490  1.0
  V  V2  1  0.992  0.992  0.014  1.0
  S  S3  1  0.894  0.894  0.702  1.0
  S  S4  1  0.389  0.389  0.205  1.0
  S  S5  1  0.592  0.592  0.810  1.0
  S  S6  1  0.097  0.097  0.309  1.0
[/CIF]
.
The structure described by NaTiVS4 crystallizes in the monoclinic Cm space group. Na(1) is bonded in a 6-coordinate geometry to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms. Ti(1) is bonded to one S(2), one S(3), two equivalent S(1), and two equivalent S(4) atoms to form TiS6 octahedra that share 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(4), two equivalent S(2), and two equivalent S(3) atoms to form VS6 octahedra that share edges with two equivalent V(1)S6 octahedra and edges with four equivalent Ti(1)S6 octahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Na(1), two equivalent Ti(1), and one V(1) atom to form SNa2Ti2V square pyramids that share corners with two equivalent S(3)Na2TiV2 trigonal bipyramids, edges with two equivalent S(1)Na2Ti2V square pyramids, and edges with three equivalent S(3)Na2TiV2 trigonal bipyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Na(1), one Ti(1), and two equivalent V(1) atoms. In the third S site, S(3) is bonded to two equivalent Na(1), one Ti(1), and two equivalent V(1) atoms to form distorted SNa2TiV2 trigonal bipyramids that share corners with two equivalent S(1)Na2Ti2V square pyramids, edges with three equivalent S(1)Na2Ti2V square pyramids, and edges with two equivalent S(3)Na2TiV2 trigonal bipyramids. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Na(1), two equivalent Ti(1), and one V(1) atom. is represented by the CIF file [CIF]
data_NaTiVS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.168
_cell_length_b   7.168
_cell_length_c   5.953
_cell_angle_alpha   82.407
_cell_angle_beta   82.407
_cell_angle_gamma   27.840
_symmetry_Int_Tables_number   1
_cell_volume   141.522
_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
  Na  Na0  1  0.244  0.244  0.904  1.0
  Ti  Ti1  1  0.493  0.493  0.490  1.0
  V  V2  1  0.992  0.992  0.014  1.0
  S  S3  1  0.894  0.894  0.702  1.0
  S  S4  1  0.389  0.389  0.205  1.0
  S  S5  1  0.592  0.592  0.810  1.0
  S  S6  1  0.097  0.097  0.309  1.0
[/CIF]
.