The compound described by Sn(Li)S2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Li(1) is bonded to six equivalent S(1) atoms to form LiS6 octahedra that share corners with twelve equivalent Sn(1)S6 octahedra, edges with six equivalent Li(1)S6 octahedra, and faces with two equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles are 47°. Sn(1) is bonded to six equivalent S(1) atoms to form SnS6 octahedra that share corners with twelve equivalent Li(1)S6 octahedra, edges with six equivalent Sn(1)S6 octahedra, and faces with two equivalent Li(1)S6 octahedra. The corner-sharing octahedral tilt angles are 47°. S(1) is bonded in a 6-coordinate geometry to three equivalent Li(1) and three equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_LiSnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.773
_cell_length_b   3.773
_cell_length_c   6.508
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   80.219
_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  0.000  0.000  0.500  1.0
  Sn  Sn1  1  0.000  0.000  0.000  1.0
  S  S2  1  0.333  0.667  0.256  1.0
  S  S3  1  0.667  0.333  0.744  1.0
[/CIF]
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The compound described by Sn(Li)S2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Li(1) is bonded to six equivalent S(1) atoms to form LiS6 octahedra that share corners with twelve equivalent Sn(1)S6 octahedra, edges with six equivalent Li(1)S6 octahedra, and faces with two equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles are 47°. Sn(1) is bonded to six equivalent S(1) atoms to form SnS6 octahedra that share corners with twelve equivalent Li(1)S6 octahedra, edges with six equivalent Sn(1)S6 octahedra, and faces with two equivalent Li(1)S6 octahedra. The corner-sharing octahedral tilt angles are 47°. S(1) is bonded in a 6-coordinate geometry to three equivalent Li(1) and three equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_LiSnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.773
_cell_length_b   3.773
_cell_length_c   6.508
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   80.219
_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  0.000  0.000  0.500  1.0
  Sn  Sn1  1  0.000  0.000  0.000  1.0
  S  S2  1  0.333  0.667  0.256  1.0
  S  S3  1  0.667  0.333  0.744  1.0
[/CIF]
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