The crystal structure described by NaPrS2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Na(1) is bonded to six equivalent S(1) atoms to form NaS6 octahedra that share corners with two equivalent Pr(1)S6 octahedra, corners with four equivalent Na(1)S6 octahedra, edges with four equivalent Na(1)S6 octahedra, and edges with eight equivalent Pr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. Pr(1) is bonded to six equivalent S(1) atoms to form PrS6 octahedra that share corners with two equivalent Na(1)S6 octahedra, corners with four equivalent Pr(1)S6 octahedra, edges with four equivalent Pr(1)S6 octahedra, and edges with eight equivalent Na(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. S(1) is bonded to three equivalent Na(1) and three equivalent Pr(1) atoms to form a mixture of corner and edge-sharing SNa3Pr3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the CIF file [CIF]
data_NaPrS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.226
_cell_length_b   7.226
_cell_length_c   7.226
_cell_angle_alpha   133.148
_cell_angle_beta   133.148
_cell_angle_gamma   68.422
_symmetry_Int_Tables_number   1
_cell_volume   197.233
_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  0.250  0.750  0.500  1.0
  Na  Na1  1  0.500  0.500  0.000  1.0
  Pr  Pr2  1  0.000  0.000  0.000  1.0
  Pr  Pr3  1  0.750  0.250  0.500  1.0
  S  S4  1  0.761  0.761  0.000  1.0
  S  S5  1  0.511  0.011  0.500  1.0
  S  S6  1  0.239  0.239  0.000  1.0
  S  S7  1  0.989  0.489  0.500  1.0
[/CIF]
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The crystal structure described by NaPrS2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Na(1) is bonded to six equivalent S(1) atoms to form NaS6 octahedra that share corners with two equivalent Pr(1)S6 octahedra, corners with four equivalent Na(1)S6 octahedra, edges with four equivalent Na(1)S6 octahedra, and edges with eight equivalent Pr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. Pr(1) is bonded to six equivalent S(1) atoms to form PrS6 octahedra that share corners with two equivalent Na(1)S6 octahedra, corners with four equivalent Pr(1)S6 octahedra, edges with four equivalent Pr(1)S6 octahedra, and edges with eight equivalent Na(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. S(1) is bonded to three equivalent Na(1) and three equivalent Pr(1) atoms to form a mixture of corner and edge-sharing SNa3Pr3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the CIF file [CIF]
data_NaPrS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.226
_cell_length_b   7.226
_cell_length_c   7.226
_cell_angle_alpha   133.148
_cell_angle_beta   133.148
_cell_angle_gamma   68.422
_symmetry_Int_Tables_number   1
_cell_volume   197.233
_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  0.250  0.750  0.500  1.0
  Na  Na1  1  0.500  0.500  0.000  1.0
  Pr  Pr2  1  0.000  0.000  0.000  1.0
  Pr  Pr3  1  0.750  0.250  0.500  1.0
  S  S4  1  0.761  0.761  0.000  1.0
  S  S5  1  0.511  0.011  0.500  1.0
  S  S6  1  0.239  0.239  0.000  1.0
  S  S7  1  0.989  0.489  0.500  1.0
[/CIF]
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