The compound described by Li2Ni3SnO8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to one O(1) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent Sn(1)O6 octahedra and corners with nine equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Sn(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. Sn(1) is bonded to six equivalent O(2) atoms to form SnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and edges with six equivalent Ni(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent Ni(1) atoms to form distorted OLiNi3 trigonal pyramids that share corners with three equivalent O(1)LiNi3 trigonal pyramids, corners with nine equivalent O(2)LiNi2Sn trigonal pyramids, and edges with three equivalent O(2)LiNi2Sn trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), two equivalent Ni(1), and one Sn(1) atom to form distorted OLiNi2Sn trigonal pyramids that share corners with three equivalent O(1)LiNi3 trigonal pyramids, corners with nine equivalent O(2)LiNi2Sn trigonal pyramids,  an edgeedge with one O(1)LiNi3 trigonal pyramid, and edges with two equivalent O(2)LiNi2Sn trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Ni3SnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.977
_cell_length_b   5.977
_cell_length_c   5.977
_cell_angle_alpha   58.501
_cell_angle_beta   58.501
_cell_angle_gamma   58.501
_symmetry_Int_Tables_number   1
_cell_volume   145.775
_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  0.121  0.121  0.121  1.0
  Li  Li1  1  0.879  0.879  0.879  1.0
  Ni  Ni2  1  0.000  0.500  0.500  1.0
  Ni  Ni3  1  0.500  0.000  0.500  1.0
  Ni  Ni4  1  0.500  0.500  0.000  1.0
  Sn  Sn5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.265  0.265  0.265  1.0
  O  O7  1  0.254  0.254  0.715  1.0
  O  O8  1  0.254  0.715  0.254  1.0
  O  O9  1  0.715  0.254  0.254  1.0
  O  O10  1  0.285  0.746  0.746  1.0
  O  O11  1  0.746  0.285  0.746  1.0
  O  O12  1  0.746  0.746  0.285  1.0
  O  O13  1  0.735  0.735  0.735  1.0
[/CIF]
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The compound described by Li2Ni3SnO8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to one O(1) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent Sn(1)O6 octahedra and corners with nine equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Sn(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. Sn(1) is bonded to six equivalent O(2) atoms to form SnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and edges with six equivalent Ni(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent Ni(1) atoms to form distorted OLiNi3 trigonal pyramids that share corners with three equivalent O(1)LiNi3 trigonal pyramids, corners with nine equivalent O(2)LiNi2Sn trigonal pyramids, and edges with three equivalent O(2)LiNi2Sn trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), two equivalent Ni(1), and one Sn(1) atom to form distorted OLiNi2Sn trigonal pyramids that share corners with three equivalent O(1)LiNi3 trigonal pyramids, corners with nine equivalent O(2)LiNi2Sn trigonal pyramids,  an edgeedge with one O(1)LiNi3 trigonal pyramid, and edges with two equivalent O(2)LiNi2Sn trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Ni3SnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.977
_cell_length_b   5.977
_cell_length_c   5.977
_cell_angle_alpha   58.501
_cell_angle_beta   58.501
_cell_angle_gamma   58.501
_symmetry_Int_Tables_number   1
_cell_volume   145.775
_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  0.121  0.121  0.121  1.0
  Li  Li1  1  0.879  0.879  0.879  1.0
  Ni  Ni2  1  0.000  0.500  0.500  1.0
  Ni  Ni3  1  0.500  0.000  0.500  1.0
  Ni  Ni4  1  0.500  0.500  0.000  1.0
  Sn  Sn5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.265  0.265  0.265  1.0
  O  O7  1  0.254  0.254  0.715  1.0
  O  O8  1  0.254  0.715  0.254  1.0
  O  O9  1  0.715  0.254  0.254  1.0
  O  O10  1  0.285  0.746  0.746  1.0
  O  O11  1  0.746  0.285  0.746  1.0
  O  O12  1  0.746  0.746  0.285  1.0
  O  O13  1  0.735  0.735  0.735  1.0
[/CIF]
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