The compound described by LiSm2SO2 is Caswellsilverite-derived structured and crystallizes in the trigonal P-3m1 space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Sm(1)S3O3 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Sm(1)S3O3 octahedra. The corner-sharing octahedral tilt angles are 3°. Sm(1) is bonded to three equivalent S(1) and three equivalent O(1) atoms to form distorted SmS3O3 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Sm(1)S3O3 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with nine equivalent Sm(1)S3O3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. S(1) is bonded to six equivalent Sm(1) atoms to form SSm6 octahedra that share corners with six equivalent O(1)Li3Sm3 octahedra, edges with six equivalent S(1)Sm6 octahedra, and edges with six equivalent O(1)Li3Sm3 octahedra. The corner-sharing octahedral tilt angles are 12°. O(1) is bonded to three equivalent Li(1) and three equivalent Sm(1) atoms to form OLi3Sm3 octahedra that share corners with three equivalent S(1)Sm6 octahedra, corners with three equivalent O(1)Li3Sm3 octahedra, edges with three equivalent S(1)Sm6 octahedra, and edges with nine equivalent O(1)Li3Sm3 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. is represented by the CIF card [CIF]
data_LiSm2SO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.659
_cell_length_b   3.659
_cell_length_c   8.471
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   98.208
_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
  Sm  Sm1  1  0.333  0.667  0.214  1.0
  Sm  Sm2  1  0.667  0.333  0.786  1.0
  S  S3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.333  0.667  0.650  1.0
  O  O5  1  0.667  0.333  0.350  1.0
[/CIF]
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The compound described by LiSm2SO2 is Caswellsilverite-derived structured and crystallizes in the trigonal P-3m1 space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Sm(1)S3O3 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Sm(1)S3O3 octahedra. The corner-sharing octahedral tilt angles are 3°. Sm(1) is bonded to three equivalent S(1) and three equivalent O(1) atoms to form distorted SmS3O3 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Sm(1)S3O3 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with nine equivalent Sm(1)S3O3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. S(1) is bonded to six equivalent Sm(1) atoms to form SSm6 octahedra that share corners with six equivalent O(1)Li3Sm3 octahedra, edges with six equivalent S(1)Sm6 octahedra, and edges with six equivalent O(1)Li3Sm3 octahedra. The corner-sharing octahedral tilt angles are 12°. O(1) is bonded to three equivalent Li(1) and three equivalent Sm(1) atoms to form OLi3Sm3 octahedra that share corners with three equivalent S(1)Sm6 octahedra, corners with three equivalent O(1)Li3Sm3 octahedra, edges with three equivalent S(1)Sm6 octahedra, and edges with nine equivalent O(1)Li3Sm3 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. is represented by the CIF card [CIF]
data_LiSm2SO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.659
_cell_length_b   3.659
_cell_length_c   8.471
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   98.208
_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
  Sm  Sm1  1  0.333  0.667  0.214  1.0
  Sm  Sm2  1  0.667  0.333  0.786  1.0
  S  S3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.333  0.667  0.650  1.0
  O  O5  1  0.667  0.333  0.350  1.0
[/CIF]
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