The crystal structure described by LiNiSnO4 crystallizes in the monoclinic P2/m space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-17°. Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share edges with two equivalent Ni(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. Sn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SnO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-17°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to one Li(1), two equivalent Ni(1), and one Sn(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Ni(1), and two equivalent Sn(1) atoms to form a mixture of corner and edge-sharing OLi2NiSn2 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiNiSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.187
_cell_length_b   3.045
_cell_length_c   5.328
_cell_angle_alpha   89.999
_cell_angle_beta   72.716
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   80.348
_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  0.000  1.0
  Ni  Ni1  1  0.500  0.500  0.000  1.0
  Sn  Sn2  1  0.500  0.000  0.500  1.0
  O  O3  1  0.699  0.000  0.798  1.0
  O  O4  1  0.729  0.500  0.268  1.0
  O  O5  1  0.271  0.500  0.732  1.0
  O  O6  1  0.301  1.000  0.202  1.0
[/CIF]
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The crystal structure described by LiNiSnO4 crystallizes in the monoclinic P2/m space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-17°. Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share edges with two equivalent Ni(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. Sn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SnO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-17°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to one Li(1), two equivalent Ni(1), and one Sn(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Ni(1), and two equivalent Sn(1) atoms to form a mixture of corner and edge-sharing OLi2NiSn2 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiNiSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.187
_cell_length_b   3.045
_cell_length_c   5.328
_cell_angle_alpha   89.999
_cell_angle_beta   72.716
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   80.348
_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  0.000  1.0
  Ni  Ni1  1  0.500  0.500  0.000  1.0
  Sn  Sn2  1  0.500  0.000  0.500  1.0
  O  O3  1  0.699  0.000  0.798  1.0
  O  O4  1  0.729  0.500  0.268  1.0
  O  O5  1  0.271  0.500  0.732  1.0
  O  O6  1  0.301  1.000  0.202  1.0
[/CIF]
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