The compound described by NaCrS2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Na(1) is bonded to six equivalent S(1) atoms to form distorted NaS6 octahedra that share corners with twelve equivalent Cr(1)S6 octahedra, edges with six equivalent Na(1)S6 octahedra, and faces with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 47°. Cr(1) is bonded to six equivalent S(1) atoms to form CrS6 octahedra that share corners with twelve equivalent Na(1)S6 octahedra, edges with six equivalent Cr(1)S6 octahedra, and faces with two equivalent Na(1)S6 octahedra. The corner-sharing octahedral tilt angles are 47°. S(1) is bonded in a 6-coordinate geometry to three equivalent Na(1) and three equivalent Cr(1) atoms. is represented by the CIF card [CIF]
data_NaCrS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.556
_cell_length_b   3.556
_cell_length_c   6.543
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   71.650
_cell_formula_units_Z   1
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  0.500  1.0
  Cr  Cr1  1  0.000  0.000  0.000  1.0
  S  S2  1  0.333  0.667  0.800  1.0
  S  S3  1  0.667  0.333  0.200  1.0
[/CIF]
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The compound described by NaCrS2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Na(1) is bonded to six equivalent S(1) atoms to form distorted NaS6 octahedra that share corners with twelve equivalent Cr(1)S6 octahedra, edges with six equivalent Na(1)S6 octahedra, and faces with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 47°. Cr(1) is bonded to six equivalent S(1) atoms to form CrS6 octahedra that share corners with twelve equivalent Na(1)S6 octahedra, edges with six equivalent Cr(1)S6 octahedra, and faces with two equivalent Na(1)S6 octahedra. The corner-sharing octahedral tilt angles are 47°. S(1) is bonded in a 6-coordinate geometry to three equivalent Na(1) and three equivalent Cr(1) atoms. is represented by the CIF card [CIF]
data_NaCrS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.556
_cell_length_b   3.556
_cell_length_c   6.543
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   71.650
_cell_formula_units_Z   1
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  0.500  1.0
  Cr  Cr1  1  0.000  0.000  0.000  1.0
  S  S2  1  0.333  0.667  0.800  1.0
  S  S3  1  0.667  0.333  0.200  1.0
[/CIF]
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