The material structure described by Li2Ni3SnO8 is Hausmannite-derived structured and crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1); one O(3); and two O(2,2) atoms to form LiO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra; corners with three equivalent Sn(1)O6 octahedra; and corners with six Ni(2,2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1) and four O(2,2) 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 Ni(2,2)O6 octahedra. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. In the third Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. Sn(1) is bonded to two equivalent O(3) and four O(2,2) atoms to form SnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra; edges with two equivalent Ni(1)O6 octahedra; and edges with four Ni(2,2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1); one Ni(1); and two Ni(2,2) atoms to form distorted OLiNi3 tetrahedra that share corners with three equivalent O(3)LiNi2Sn tetrahedra, corners with three equivalent O(1)LiNi3 tetrahedra, corners with three equivalent O(2)LiNi2Sn trigonal pyramids,  an edgeedge with one O(3)LiNi2Sn tetrahedra, and  an edgeedge with one O(2)LiNi2Sn trigonal pyramid. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(1), one Ni(2), and one Sn(1) atom. In the third O site, O(2) is bonded to one Li(1), one Ni(1), one Ni(2), and one Sn(1) atom to form distorted OLiNi2Sn trigonal pyramids that share corners with three equivalent O(3)LiNi2Sn tetrahedra, corners with three equivalent O(1)LiNi3 tetrahedra, corners with three equivalent O(2)LiNi2Sn trigonal pyramids,  an edgeedge with one O(3)LiNi2Sn tetrahedra, and  an edgeedge with one O(1)LiNi3 tetrahedra. In the fourth O site, O(3) is bonded to one Li(1); two Ni(2,2); and one Sn(1) atom to form distorted OLiNi2Sn tetrahedra that share corners with three equivalent O(3)LiNi2Sn tetrahedra, corners with three equivalent O(1)LiNi3 tetrahedra, corners with three equivalent O(2)LiNi2Sn trigonal pyramids,  an edgeedge with one O(1)LiNi3 tetrahedra, and  an edgeedge with one O(2)LiNi2Sn trigonal pyramid. is represented by the CIF card [CIF]
data_Li2Ni3SnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.748
_cell_length_b   5.915
_cell_length_c   5.934
_cell_angle_alpha   118.079
_cell_angle_beta   90.099
_cell_angle_gamma   119.039
_symmetry_Int_Tables_number   1
_cell_volume   148.523
_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  0.127  0.254  0.356  1.0
  Li  Li1  1  0.872  0.745  0.644  1.0
  Ni  Ni2  1  0.500  0.000  0.000  1.0
  Ni  Ni3  1  1.000  0.500  0.000  1.0
  Ni  Ni4  1  0.500  0.500  0.000  1.0
  O  O5  1  0.280  0.559  0.809  1.0
  O  O6  1  0.720  0.441  0.192  1.0
  O  O7  1  0.266  0.990  0.226  1.0
  O  O8  1  0.724  0.991  0.227  1.0
  O  O9  1  0.260  0.519  0.221  1.0
  O  O10  1  0.740  0.481  0.779  1.0
  O  O11  1  0.276  0.009  0.773  1.0
  O  O12  1  0.734  0.010  0.774  1.0
  Sn  Sn13  1  0.500  0.000  0.500  1.0
[/CIF]
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The material structure described by Li2Ni3SnO8 is Hausmannite-derived structured and crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1); one O(3); and two O(2,2) atoms to form LiO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra; corners with three equivalent Sn(1)O6 octahedra; and corners with six Ni(2,2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1) and four O(2,2) 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 Ni(2,2)O6 octahedra. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. In the third Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. Sn(1) is bonded to two equivalent O(3) and four O(2,2) atoms to form SnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra; edges with two equivalent Ni(1)O6 octahedra; and edges with four Ni(2,2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1); one Ni(1); and two Ni(2,2) atoms to form distorted OLiNi3 tetrahedra that share corners with three equivalent O(3)LiNi2Sn tetrahedra, corners with three equivalent O(1)LiNi3 tetrahedra, corners with three equivalent O(2)LiNi2Sn trigonal pyramids,  an edgeedge with one O(3)LiNi2Sn tetrahedra, and  an edgeedge with one O(2)LiNi2Sn trigonal pyramid. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(1), one Ni(2), and one Sn(1) atom. In the third O site, O(2) is bonded to one Li(1), one Ni(1), one Ni(2), and one Sn(1) atom to form distorted OLiNi2Sn trigonal pyramids that share corners with three equivalent O(3)LiNi2Sn tetrahedra, corners with three equivalent O(1)LiNi3 tetrahedra, corners with three equivalent O(2)LiNi2Sn trigonal pyramids,  an edgeedge with one O(3)LiNi2Sn tetrahedra, and  an edgeedge with one O(1)LiNi3 tetrahedra. In the fourth O site, O(3) is bonded to one Li(1); two Ni(2,2); and one Sn(1) atom to form distorted OLiNi2Sn tetrahedra that share corners with three equivalent O(3)LiNi2Sn tetrahedra, corners with three equivalent O(1)LiNi3 tetrahedra, corners with three equivalent O(2)LiNi2Sn trigonal pyramids,  an edgeedge with one O(1)LiNi3 tetrahedra, and  an edgeedge with one O(2)LiNi2Sn trigonal pyramid. is represented by the CIF card [CIF]
data_Li2Ni3SnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.748
_cell_length_b   5.915
_cell_length_c   5.934
_cell_angle_alpha   118.079
_cell_angle_beta   90.099
_cell_angle_gamma   119.039
_symmetry_Int_Tables_number   1
_cell_volume   148.523
_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  0.127  0.254  0.356  1.0
  Li  Li1  1  0.872  0.745  0.644  1.0
  Ni  Ni2  1  0.500  0.000  0.000  1.0
  Ni  Ni3  1  1.000  0.500  0.000  1.0
  Ni  Ni4  1  0.500  0.500  0.000  1.0
  O  O5  1  0.280  0.559  0.809  1.0
  O  O6  1  0.720  0.441  0.192  1.0
  O  O7  1  0.266  0.990  0.226  1.0
  O  O8  1  0.724  0.991  0.227  1.0
  O  O9  1  0.260  0.519  0.221  1.0
  O  O10  1  0.740  0.481  0.779  1.0
  O  O11  1  0.276  0.009  0.773  1.0
  O  O12  1  0.734  0.010  0.774  1.0
  Sn  Sn13  1  0.500  0.000  0.500  1.0
[/CIF]
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