The material described by LiSn2(SO4)3 crystallizes in the trigonal R-3c space group. Li(1) is bonded to six equivalent O(1) atoms to form distorted LiO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra and faces with two equivalent Sn(1)O6 octahedra. Sn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form SnO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra and  a faceface with one Li(1)O6 octahedra. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra and corners with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-53°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Sn(1), and one S(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Sn(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSn2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.363
_cell_length_b   9.363
_cell_length_c   9.363
_cell_angle_alpha   58.906
_cell_angle_beta   58.906
_cell_angle_gamma   58.906
_symmetry_Int_Tables_number   1
_cell_volume   565.921
_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
  Li  Li0  1  0.000  0.000  0.000  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Sn  Sn2  1  0.353  0.353  0.353  1.0
  Sn  Sn3  1  0.147  0.147  0.147  1.0
  Sn  Sn4  1  0.647  0.647  0.647  1.0
  Sn  Sn5  1  0.853  0.853  0.853  1.0
  S  S6  1  0.750  0.063  0.437  1.0
  S  S7  1  0.937  0.563  0.250  1.0
  S  S8  1  0.563  0.250  0.937  1.0
  S  S9  1  0.437  0.750  0.063  1.0
  S  S10  1  0.063  0.437  0.750  1.0
  S  S11  1  0.250  0.937  0.563  1.0
  O  O12  1  0.893  0.073  0.257  1.0
  O  O13  1  0.743  0.107  0.927  1.0
  O  O14  1  0.931  0.483  0.677  1.0
  O  O15  1  0.017  0.569  0.823  1.0
  O  O16  1  0.607  0.243  0.427  1.0
  O  O17  1  0.757  0.573  0.393  1.0
  O  O18  1  0.927  0.743  0.107  1.0
  O  O19  1  0.177  0.983  0.431  1.0
  O  O20  1  0.517  0.323  0.069  1.0
  O  O21  1  0.323  0.069  0.517  1.0
  O  O22  1  0.431  0.177  0.983  1.0
  O  O23  1  0.573  0.393  0.757  1.0
  O  O24  1  0.427  0.607  0.243  1.0
  O  O25  1  0.677  0.931  0.483  1.0
  O  O26  1  0.569  0.823  0.017  1.0
  O  O27  1  0.823  0.017  0.569  1.0
  O  O28  1  0.483  0.677  0.931  1.0
  O  O29  1  0.073  0.257  0.893  1.0
  O  O30  1  0.243  0.427  0.607  1.0
  O  O31  1  0.393  0.757  0.573  1.0
  O  O32  1  0.069  0.517  0.323  1.0
  O  O33  1  0.983  0.431  0.177  1.0
  O  O34  1  0.257  0.893  0.073  1.0
  O  O35  1  0.107  0.927  0.743  1.0
[/CIF]
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The material described by LiSn2(SO4)3 crystallizes in the trigonal R-3c space group. Li(1) is bonded to six equivalent O(1) atoms to form distorted LiO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra and faces with two equivalent Sn(1)O6 octahedra. Sn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form SnO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra and  a faceface with one Li(1)O6 octahedra. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra and corners with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-53°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Sn(1), and one S(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Sn(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSn2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.363
_cell_length_b   9.363
_cell_length_c   9.363
_cell_angle_alpha   58.906
_cell_angle_beta   58.906
_cell_angle_gamma   58.906
_symmetry_Int_Tables_number   1
_cell_volume   565.921
_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
  Li  Li0  1  0.000  0.000  0.000  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Sn  Sn2  1  0.353  0.353  0.353  1.0
  Sn  Sn3  1  0.147  0.147  0.147  1.0
  Sn  Sn4  1  0.647  0.647  0.647  1.0
  Sn  Sn5  1  0.853  0.853  0.853  1.0
  S  S6  1  0.750  0.063  0.437  1.0
  S  S7  1  0.937  0.563  0.250  1.0
  S  S8  1  0.563  0.250  0.937  1.0
  S  S9  1  0.437  0.750  0.063  1.0
  S  S10  1  0.063  0.437  0.750  1.0
  S  S11  1  0.250  0.937  0.563  1.0
  O  O12  1  0.893  0.073  0.257  1.0
  O  O13  1  0.743  0.107  0.927  1.0
  O  O14  1  0.931  0.483  0.677  1.0
  O  O15  1  0.017  0.569  0.823  1.0
  O  O16  1  0.607  0.243  0.427  1.0
  O  O17  1  0.757  0.573  0.393  1.0
  O  O18  1  0.927  0.743  0.107  1.0
  O  O19  1  0.177  0.983  0.431  1.0
  O  O20  1  0.517  0.323  0.069  1.0
  O  O21  1  0.323  0.069  0.517  1.0
  O  O22  1  0.431  0.177  0.983  1.0
  O  O23  1  0.573  0.393  0.757  1.0
  O  O24  1  0.427  0.607  0.243  1.0
  O  O25  1  0.677  0.931  0.483  1.0
  O  O26  1  0.569  0.823  0.017  1.0
  O  O27  1  0.823  0.017  0.569  1.0
  O  O28  1  0.483  0.677  0.931  1.0
  O  O29  1  0.073  0.257  0.893  1.0
  O  O30  1  0.243  0.427  0.607  1.0
  O  O31  1  0.393  0.757  0.573  1.0
  O  O32  1  0.069  0.517  0.323  1.0
  O  O33  1  0.983  0.431  0.177  1.0
  O  O34  1  0.257  0.893  0.073  1.0
  O  O35  1  0.107  0.927  0.743  1.0
[/CIF]
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