The crystal structure described by Na2TiS2O crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent S(1), three equivalent S(2), and one O(1) atom to form distorted NaS5O octahedra that share corners with two equivalent Na(1)S5O octahedra, corners with three equivalent Na(2)S5O octahedra, corners with three equivalent Ti(1)S2O2 tetrahedra, edges with three equivalent Na(1)S5O octahedra, edges with five equivalent Na(2)S5O octahedra, and edges with two equivalent Ti(1)S2O2 tetrahedra. The corner-sharing octahedral tilt angles range from 9-71°. In the second Na site, Na(2) is bonded to two equivalent S(2), three equivalent S(1), and one O(1) atom to form distorted NaS5O octahedra that share corners with two equivalent Na(2)S5O octahedra, corners with three equivalent Na(1)S5O octahedra, corners with three equivalent Ti(1)S2O2 tetrahedra, edges with three equivalent Na(2)S5O octahedra, edges with five equivalent Na(1)S5O octahedra, and edges with two equivalent Ti(1)S2O2 tetrahedra. The corner-sharing octahedral tilt angles range from 6-71°. Ti(1) is bonded to one S(1), one S(2), and two equivalent O(1) atoms to form TiS2O2 tetrahedra that share corners with three equivalent Na(1)S5O octahedra, corners with three equivalent Na(2)S5O octahedra, corners with two equivalent Ti(1)S2O2 tetrahedra, edges with two equivalent Na(1)S5O octahedra, and edges with two equivalent Na(2)S5O octahedra. The corner-sharing octahedral tilt angles range from 13-77°. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Na(1), three equivalent Na(2), and one Ti(1) atom to form distorted SNa5Ti octahedra that share corners with two equivalent S(1)Na5Ti octahedra, corners with three equivalent S(2)Na5Ti octahedra, corners with three equivalent O(1)Na2Ti2 trigonal pyramids, edges with three equivalent S(1)Na5Ti octahedra, edges with five equivalent S(2)Na5Ti octahedra, and edges with two equivalent O(1)Na2Ti2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 6-63°. In the second S site, S(2) is bonded to two equivalent Na(2), three equivalent Na(1), and one Ti(1) atom to form SNa5Ti octahedra that share corners with two equivalent S(2)Na5Ti octahedra, corners with three equivalent S(1)Na5Ti octahedra, corners with three equivalent O(1)Na2Ti2 trigonal pyramids, edges with three equivalent S(2)Na5Ti octahedra, edges with five equivalent S(1)Na5Ti octahedra, and edges with two equivalent O(1)Na2Ti2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 8-63°. O(1) is bonded to one Na(1), one Na(2), and two equivalent Ti(1) atoms to form distorted ONa2Ti2 trigonal pyramids that share corners with three equivalent S(1)Na5Ti octahedra, corners with three equivalent S(2)Na5Ti octahedra, corners with two equivalent O(1)Na2Ti2 trigonal pyramids, edges with two equivalent S(1)Na5Ti octahedra, and edges with two equivalent S(2)Na5Ti octahedra. The corner-sharing octahedral tilt angles range from 15-83°. is represented by the CIF card [CIF]
data_Na2TiS2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.720
_cell_length_b   5.795
_cell_length_c   6.930
_cell_angle_alpha   66.725
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   506.118
_cell_formula_units_Z   4
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  0.361  0.455  0.604  1.0
  Na  Na1  1  0.942  0.352  0.786  1.0
  Na  Na2  1  0.139  0.955  0.604  1.0
  Na  Na3  1  0.442  0.148  0.214  1.0
  Na  Na4  1  0.558  0.852  0.786  1.0
  Na  Na5  1  0.861  0.045  0.396  1.0
  Na  Na6  1  0.058  0.648  0.214  1.0
  Na  Na7  1  0.639  0.545  0.396  1.0
  Ti  Ti8  1  0.317  0.837  0.979  1.0
  Ti  Ti9  1  0.683  0.163  0.021  1.0
  Ti  Ti10  1  0.183  0.337  0.979  1.0
  Ti  Ti11  1  0.817  0.663  0.021  1.0
  S  S12  1  0.558  0.352  0.808  1.0
  S  S13  1  0.357  0.941  0.640  1.0
  S  S14  1  0.857  0.559  0.360  1.0
  S  S15  1  0.942  0.852  0.808  1.0
  S  S16  1  0.643  0.059  0.360  1.0
  S  S17  1  0.143  0.441  0.640  1.0
  S  S18  1  0.442  0.648  0.192  1.0
  S  S19  1  0.058  0.148  0.192  1.0
  O  O20  1  0.709  0.869  0.980  1.0
  O  O21  1  0.209  0.631  0.020  1.0
  O  O22  1  0.791  0.369  0.980  1.0
  O  O23  1  0.291  0.131  0.020  1.0
[/CIF]
.
The crystal structure described by Na2TiS2O crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent S(1), three equivalent S(2), and one O(1) atom to form distorted NaS5O octahedra that share corners with two equivalent Na(1)S5O octahedra, corners with three equivalent Na(2)S5O octahedra, corners with three equivalent Ti(1)S2O2 tetrahedra, edges with three equivalent Na(1)S5O octahedra, edges with five equivalent Na(2)S5O octahedra, and edges with two equivalent Ti(1)S2O2 tetrahedra. The corner-sharing octahedral tilt angles range from 9-71°. In the second Na site, Na(2) is bonded to two equivalent S(2), three equivalent S(1), and one O(1) atom to form distorted NaS5O octahedra that share corners with two equivalent Na(2)S5O octahedra, corners with three equivalent Na(1)S5O octahedra, corners with three equivalent Ti(1)S2O2 tetrahedra, edges with three equivalent Na(2)S5O octahedra, edges with five equivalent Na(1)S5O octahedra, and edges with two equivalent Ti(1)S2O2 tetrahedra. The corner-sharing octahedral tilt angles range from 6-71°. Ti(1) is bonded to one S(1), one S(2), and two equivalent O(1) atoms to form TiS2O2 tetrahedra that share corners with three equivalent Na(1)S5O octahedra, corners with three equivalent Na(2)S5O octahedra, corners with two equivalent Ti(1)S2O2 tetrahedra, edges with two equivalent Na(1)S5O octahedra, and edges with two equivalent Na(2)S5O octahedra. The corner-sharing octahedral tilt angles range from 13-77°. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Na(1), three equivalent Na(2), and one Ti(1) atom to form distorted SNa5Ti octahedra that share corners with two equivalent S(1)Na5Ti octahedra, corners with three equivalent S(2)Na5Ti octahedra, corners with three equivalent O(1)Na2Ti2 trigonal pyramids, edges with three equivalent S(1)Na5Ti octahedra, edges with five equivalent S(2)Na5Ti octahedra, and edges with two equivalent O(1)Na2Ti2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 6-63°. In the second S site, S(2) is bonded to two equivalent Na(2), three equivalent Na(1), and one Ti(1) atom to form SNa5Ti octahedra that share corners with two equivalent S(2)Na5Ti octahedra, corners with three equivalent S(1)Na5Ti octahedra, corners with three equivalent O(1)Na2Ti2 trigonal pyramids, edges with three equivalent S(2)Na5Ti octahedra, edges with five equivalent S(1)Na5Ti octahedra, and edges with two equivalent O(1)Na2Ti2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 8-63°. O(1) is bonded to one Na(1), one Na(2), and two equivalent Ti(1) atoms to form distorted ONa2Ti2 trigonal pyramids that share corners with three equivalent S(1)Na5Ti octahedra, corners with three equivalent S(2)Na5Ti octahedra, corners with two equivalent O(1)Na2Ti2 trigonal pyramids, edges with two equivalent S(1)Na5Ti octahedra, and edges with two equivalent S(2)Na5Ti octahedra. The corner-sharing octahedral tilt angles range from 15-83°. is represented by the CIF card [CIF]
data_Na2TiS2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.720
_cell_length_b   5.795
_cell_length_c   6.930
_cell_angle_alpha   66.725
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   506.118
_cell_formula_units_Z   4
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  0.361  0.455  0.604  1.0
  Na  Na1  1  0.942  0.352  0.786  1.0
  Na  Na2  1  0.139  0.955  0.604  1.0
  Na  Na3  1  0.442  0.148  0.214  1.0
  Na  Na4  1  0.558  0.852  0.786  1.0
  Na  Na5  1  0.861  0.045  0.396  1.0
  Na  Na6  1  0.058  0.648  0.214  1.0
  Na  Na7  1  0.639  0.545  0.396  1.0
  Ti  Ti8  1  0.317  0.837  0.979  1.0
  Ti  Ti9  1  0.683  0.163  0.021  1.0
  Ti  Ti10  1  0.183  0.337  0.979  1.0
  Ti  Ti11  1  0.817  0.663  0.021  1.0
  S  S12  1  0.558  0.352  0.808  1.0
  S  S13  1  0.357  0.941  0.640  1.0
  S  S14  1  0.857  0.559  0.360  1.0
  S  S15  1  0.942  0.852  0.808  1.0
  S  S16  1  0.643  0.059  0.360  1.0
  S  S17  1  0.143  0.441  0.640  1.0
  S  S18  1  0.442  0.648  0.192  1.0
  S  S19  1  0.058  0.148  0.192  1.0
  O  O20  1  0.709  0.869  0.980  1.0
  O  O21  1  0.209  0.631  0.020  1.0
  O  O22  1  0.791  0.369  0.980  1.0
  O  O23  1  0.291  0.131  0.020  1.0
[/CIF]
.