The structure described by NaBiS2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Na(1) is bonded to six S(1,1) atoms to form NaS6 octahedra that share corners with two equivalent Bi(1)S6 octahedra, corners with four equivalent Na(1)S6 octahedra, edges with four equivalent Na(1)S6 octahedra, and edges with eight equivalent Bi(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. Bi(1) is bonded to six equivalent S(1) atoms to form BiS6 octahedra that share corners with two equivalent Na(1)S6 octahedra, corners with four equivalent Bi(1)S6 octahedra, edges with four equivalent Bi(1)S6 octahedra, and edges with eight equivalent Na(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Na(1) and three equivalent Bi(1) atoms to form a mixture of corner and edge-sharing SNa3Bi3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second S site, S(1) is bonded to three equivalent Na(1) and three equivalent Bi(1) atoms to form a mixture of corner and edge-sharing SNa3Bi3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third S site, S(1) is bonded to three equivalent Na(1) and three equivalent Bi(1) atoms to form a mixture of corner and edge-sharing SNa3Bi3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the CIF card [CIF]
data_NaBiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.151
_cell_length_b   7.151
_cell_length_c   7.151
_cell_angle_alpha   133.110
_cell_angle_beta   133.110
_cell_angle_gamma   68.481
_symmetry_Int_Tables_number   1
_cell_volume   191.380
_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  0.000  0.000  0.000  1.0
  Na  Na1  1  0.750  0.250  0.500  1.0
  Bi  Bi2  1  0.250  0.750  0.500  1.0
  Bi  Bi3  1  0.500  0.500  0.000  1.0
  S  S4  1  0.489  0.989  0.500  1.0
  S  S5  1  0.011  0.511  0.500  1.0
  S  S6  1  0.739  0.739  0.000  1.0
  S  S7  1  0.261  0.261  0.000  1.0
[/CIF]
.
The structure described by NaBiS2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Na(1) is bonded to six S(1,1) atoms to form NaS6 octahedra that share corners with two equivalent Bi(1)S6 octahedra, corners with four equivalent Na(1)S6 octahedra, edges with four equivalent Na(1)S6 octahedra, and edges with eight equivalent Bi(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. Bi(1) is bonded to six equivalent S(1) atoms to form BiS6 octahedra that share corners with two equivalent Na(1)S6 octahedra, corners with four equivalent Bi(1)S6 octahedra, edges with four equivalent Bi(1)S6 octahedra, and edges with eight equivalent Na(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Na(1) and three equivalent Bi(1) atoms to form a mixture of corner and edge-sharing SNa3Bi3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second S site, S(1) is bonded to three equivalent Na(1) and three equivalent Bi(1) atoms to form a mixture of corner and edge-sharing SNa3Bi3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third S site, S(1) is bonded to three equivalent Na(1) and three equivalent Bi(1) atoms to form a mixture of corner and edge-sharing SNa3Bi3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the CIF card [CIF]
data_NaBiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.151
_cell_length_b   7.151
_cell_length_c   7.151
_cell_angle_alpha   133.110
_cell_angle_beta   133.110
_cell_angle_gamma   68.481
_symmetry_Int_Tables_number   1
_cell_volume   191.380
_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  0.000  0.000  0.000  1.0
  Na  Na1  1  0.750  0.250  0.500  1.0
  Bi  Bi2  1  0.250  0.750  0.500  1.0
  Bi  Bi3  1  0.500  0.500  0.000  1.0
  S  S4  1  0.489  0.989  0.500  1.0
  S  S5  1  0.011  0.511  0.500  1.0
  S  S6  1  0.739  0.739  0.000  1.0
  S  S7  1  0.261  0.261  0.000  1.0
[/CIF]
.