The compound described by NaSbS2 crystallizes in the monoclinic C2/m space group. Na(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form NaS6 octahedra that share corners with four equivalent Na(1)S6 octahedra, corners with five equivalent Sb(1)S5 square pyramids, edges with four equivalent Na(1)S6 octahedra, and edges with five equivalent Sb(1)S5 square pyramids. The corner-sharing octahedral tilt angles range from 5-12°. Sb(1) is bonded to two equivalent S(1) and three equivalent S(2) atoms to form SbS5 square pyramids that share corners with five equivalent Na(1)S6 octahedra, corners with two equivalent Sb(1)S5 square pyramids, edges with five equivalent Na(1)S6 octahedra, and edges with three equivalent Sb(1)S5 square pyramids. The corner-sharing octahedral tilt angles range from 2-88°. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Na(1) and two equivalent Sb(1) atoms to form SNa3Sb2 square pyramids that share corners with five equivalent S(2)Na3Sb3 octahedra, corners with two equivalent S(1)Na3Sb2 square pyramids, edges with five equivalent S(2)Na3Sb3 octahedra, and edges with three equivalent S(1)Na3Sb2 square pyramids. The corner-sharing octahedral tilt angles range from 2-84°. In the second S site, S(2) is bonded to three equivalent Na(1) and three equivalent Sb(1) atoms to form SNa3Sb3 octahedra that share corners with four equivalent S(2)Na3Sb3 octahedra, corners with five equivalent S(1)Na3Sb2 square pyramids, edges with four equivalent S(2)Na3Sb3 octahedra, and edges with five equivalent S(1)Na3Sb2 square pyramids. The corner-sharing octahedral tilt angles range from 5-12°. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSbS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.015
_cell_length_b   7.015
_cell_length_c   5.942
_cell_angle_alpha   66.507
_cell_angle_beta   66.507
_cell_angle_gamma   46.945
_symmetry_Int_Tables_number   1
_cell_volume   192.430
_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
  Na  Na0  1  0.626  0.626  0.135  1.0
  Na  Na1  1  0.374  0.374  0.865  1.0
  Sb  Sb2  1  0.869  0.869  0.411  1.0
  Sb  Sb3  1  0.131  0.131  0.589  1.0
  S  S4  1  0.118  0.118  0.190  1.0
  S  S5  1  0.637  0.637  0.632  1.0
  S  S6  1  0.882  0.882  0.810  1.0
  S  S7  1  0.363  0.363  0.368  1.0
[/CIF]
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The compound described by NaSbS2 crystallizes in the monoclinic C2/m space group. Na(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form NaS6 octahedra that share corners with four equivalent Na(1)S6 octahedra, corners with five equivalent Sb(1)S5 square pyramids, edges with four equivalent Na(1)S6 octahedra, and edges with five equivalent Sb(1)S5 square pyramids. The corner-sharing octahedral tilt angles range from 5-12°. Sb(1) is bonded to two equivalent S(1) and three equivalent S(2) atoms to form SbS5 square pyramids that share corners with five equivalent Na(1)S6 octahedra, corners with two equivalent Sb(1)S5 square pyramids, edges with five equivalent Na(1)S6 octahedra, and edges with three equivalent Sb(1)S5 square pyramids. The corner-sharing octahedral tilt angles range from 2-88°. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Na(1) and two equivalent Sb(1) atoms to form SNa3Sb2 square pyramids that share corners with five equivalent S(2)Na3Sb3 octahedra, corners with two equivalent S(1)Na3Sb2 square pyramids, edges with five equivalent S(2)Na3Sb3 octahedra, and edges with three equivalent S(1)Na3Sb2 square pyramids. The corner-sharing octahedral tilt angles range from 2-84°. In the second S site, S(2) is bonded to three equivalent Na(1) and three equivalent Sb(1) atoms to form SNa3Sb3 octahedra that share corners with four equivalent S(2)Na3Sb3 octahedra, corners with five equivalent S(1)Na3Sb2 square pyramids, edges with four equivalent S(2)Na3Sb3 octahedra, and edges with five equivalent S(1)Na3Sb2 square pyramids. The corner-sharing octahedral tilt angles range from 5-12°. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSbS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.015
_cell_length_b   7.015
_cell_length_c   5.942
_cell_angle_alpha   66.507
_cell_angle_beta   66.507
_cell_angle_gamma   46.945
_symmetry_Int_Tables_number   1
_cell_volume   192.430
_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
  Na  Na0  1  0.626  0.626  0.135  1.0
  Na  Na1  1  0.374  0.374  0.865  1.0
  Sb  Sb2  1  0.869  0.869  0.411  1.0
  Sb  Sb3  1  0.131  0.131  0.589  1.0
  S  S4  1  0.118  0.118  0.190  1.0
  S  S5  1  0.637  0.637  0.632  1.0
  S  S6  1  0.882  0.882  0.810  1.0
  S  S7  1  0.363  0.363  0.368  1.0
[/CIF]
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