The compound described by Sn(Li)S2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to six equivalent S(1) atoms to form LiS6 octahedra that share corners with six equivalent Sn(1)S6 octahedra, edges with six equivalent Li(1)S6 octahedra, and edges with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles are 2°. Sn(1) is bonded to six equivalent S(1) atoms to form SnS6 octahedra that share corners with six equivalent Li(1)S6 octahedra, edges with six equivalent Li(1)S6 octahedra, and edges with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles are 2°. S(1) is bonded to three equivalent Li(1) and three equivalent Sn(1) atoms to form a mixture of corner and edge-sharing SLi3Sn3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_LiSnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.676
_cell_length_b   6.676
_cell_length_c   6.676
_cell_angle_alpha   33.086
_cell_angle_beta   33.086
_cell_angle_gamma   33.086
_symmetry_Int_Tables_number   1
_cell_volume   78.935
_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
  Li  Li0  1  0.500  0.500  0.500  1.0
  Sn  Sn1  1  0.000  0.000  0.000  1.0
  S  S2  1  0.753  0.753  0.753  1.0
  S  S3  1  0.247  0.247  0.247  1.0
[/CIF]
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The compound described by Sn(Li)S2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to six equivalent S(1) atoms to form LiS6 octahedra that share corners with six equivalent Sn(1)S6 octahedra, edges with six equivalent Li(1)S6 octahedra, and edges with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles are 2°. Sn(1) is bonded to six equivalent S(1) atoms to form SnS6 octahedra that share corners with six equivalent Li(1)S6 octahedra, edges with six equivalent Li(1)S6 octahedra, and edges with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles are 2°. S(1) is bonded to three equivalent Li(1) and three equivalent Sn(1) atoms to form a mixture of corner and edge-sharing SLi3Sn3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_LiSnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.676
_cell_length_b   6.676
_cell_length_c   6.676
_cell_angle_alpha   33.086
_cell_angle_beta   33.086
_cell_angle_gamma   33.086
_symmetry_Int_Tables_number   1
_cell_volume   78.935
_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
  Li  Li0  1  0.500  0.500  0.500  1.0
  Sn  Sn1  1  0.000  0.000  0.000  1.0
  S  S2  1  0.753  0.753  0.753  1.0
  S  S3  1  0.247  0.247  0.247  1.0
[/CIF]
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