The compound described by Na2TeS3 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), two equivalent S(2), and two equivalent S(3) atoms to form a mixture of distorted corner and edge-sharing NaS6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. In the second Na site, Na(2) is bonded to one S(1), two equivalent S(2), and three equivalent S(3) atoms to form a mixture of corner and edge-sharing NaS6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. Te(1) is bonded in a trigonal non-coplanar geometry to one S(1), one S(2), and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Na(2), two equivalent Na(1), and one Te(1) atom. In the second S site, S(2) is bonded to two equivalent Na(1), two equivalent Na(2), and one Te(1) atom to form SNa4Te square pyramids that share  a cornercorner with one S(3)Na5Te octahedra, corners with four equivalent S(2)Na4Te square pyramids, and edges with five equivalent S(3)Na5Te octahedra. The corner-sharing octahedral tilt angles are 12°. In the third S site, S(3) is bonded to two equivalent Na(1), three equivalent Na(2), and one Te(1) atom to form distorted SNa5Te octahedra that share corners with four equivalent S(3)Na5Te octahedra,  a cornercorner with one S(2)Na4Te square pyramid, edges with two equivalent S(3)Na5Te octahedra, and edges with five equivalent S(2)Na4Te square pyramids. The corner-sharing octahedral tilt angles range from 3-10°. is represented by the CIF file [CIF]
data_Na2TeS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.366
_cell_length_b   5.859
_cell_length_c   8.520
_cell_angle_alpha   87.876
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   616.909
_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  0.760  0.260  0.124  1.0
  Na  Na1  1  0.260  0.740  0.376  1.0
  Na  Na2  1  0.240  0.740  0.876  1.0
  Na  Na3  1  0.740  0.260  0.624  1.0
  Na  Na4  1  0.917  0.754  0.364  1.0
  Na  Na5  1  0.417  0.246  0.136  1.0
  Na  Na6  1  0.083  0.246  0.636  1.0
  Na  Na7  1  0.583  0.754  0.864  1.0
  Te  Te8  1  0.088  0.292  0.185  1.0
  Te  Te9  1  0.588  0.708  0.315  1.0
  Te  Te10  1  0.912  0.708  0.815  1.0
  Te  Te11  1  0.412  0.292  0.685  1.0
  S  S12  1  0.093  0.695  0.139  1.0
  S  S13  1  0.593  0.305  0.361  1.0
  S  S14  1  0.907  0.305  0.861  1.0
  S  S15  1  0.407  0.695  0.639  1.0
  S  S16  1  0.234  0.239  0.368  1.0
  S  S17  1  0.734  0.761  0.132  1.0
  S  S18  1  0.766  0.761  0.632  1.0
  S  S19  1  0.266  0.239  0.868  1.0
  S  S20  1  0.936  0.252  0.353  1.0
  S  S21  1  0.436  0.748  0.147  1.0
  S  S22  1  0.064  0.748  0.647  1.0
  S  S23  1  0.564  0.252  0.853  1.0
[/CIF]
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The compound described by Na2TeS3 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), two equivalent S(2), and two equivalent S(3) atoms to form a mixture of distorted corner and edge-sharing NaS6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. In the second Na site, Na(2) is bonded to one S(1), two equivalent S(2), and three equivalent S(3) atoms to form a mixture of corner and edge-sharing NaS6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. Te(1) is bonded in a trigonal non-coplanar geometry to one S(1), one S(2), and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Na(2), two equivalent Na(1), and one Te(1) atom. In the second S site, S(2) is bonded to two equivalent Na(1), two equivalent Na(2), and one Te(1) atom to form SNa4Te square pyramids that share  a cornercorner with one S(3)Na5Te octahedra, corners with four equivalent S(2)Na4Te square pyramids, and edges with five equivalent S(3)Na5Te octahedra. The corner-sharing octahedral tilt angles are 12°. In the third S site, S(3) is bonded to two equivalent Na(1), three equivalent Na(2), and one Te(1) atom to form distorted SNa5Te octahedra that share corners with four equivalent S(3)Na5Te octahedra,  a cornercorner with one S(2)Na4Te square pyramid, edges with two equivalent S(3)Na5Te octahedra, and edges with five equivalent S(2)Na4Te square pyramids. The corner-sharing octahedral tilt angles range from 3-10°. is represented by the CIF file [CIF]
data_Na2TeS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.366
_cell_length_b   5.859
_cell_length_c   8.520
_cell_angle_alpha   87.876
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   616.909
_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  0.760  0.260  0.124  1.0
  Na  Na1  1  0.260  0.740  0.376  1.0
  Na  Na2  1  0.240  0.740  0.876  1.0
  Na  Na3  1  0.740  0.260  0.624  1.0
  Na  Na4  1  0.917  0.754  0.364  1.0
  Na  Na5  1  0.417  0.246  0.136  1.0
  Na  Na6  1  0.083  0.246  0.636  1.0
  Na  Na7  1  0.583  0.754  0.864  1.0
  Te  Te8  1  0.088  0.292  0.185  1.0
  Te  Te9  1  0.588  0.708  0.315  1.0
  Te  Te10  1  0.912  0.708  0.815  1.0
  Te  Te11  1  0.412  0.292  0.685  1.0
  S  S12  1  0.093  0.695  0.139  1.0
  S  S13  1  0.593  0.305  0.361  1.0
  S  S14  1  0.907  0.305  0.861  1.0
  S  S15  1  0.407  0.695  0.639  1.0
  S  S16  1  0.234  0.239  0.368  1.0
  S  S17  1  0.734  0.761  0.132  1.0
  S  S18  1  0.766  0.761  0.632  1.0
  S  S19  1  0.266  0.239  0.868  1.0
  S  S20  1  0.936  0.252  0.353  1.0
  S  S21  1  0.436  0.748  0.147  1.0
  S  S22  1  0.064  0.748  0.647  1.0
  S  S23  1  0.564  0.252  0.853  1.0
[/CIF]
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