The structure described by Li2NiSnO4 is Caswellsilverite-derived structured and crystallizes in the tetragonal I-4m2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and four O(2,2) atoms to form LiO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, edges with four equivalent Ni(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second Li site, Li(2) is bonded to two O(2,2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, edges with four equivalent Ni(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. Sn(1) is bonded to two equivalent O(1) and four O(2,2) atoms to form SnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Sn(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), two equivalent Ni(1), and one Sn(1) atom to form OLi3Ni2Sn octahedra that share corners with six equivalent O(1)Li3Ni2Sn octahedra; edges with four equivalent O(1)Li3Ni2Sn octahedra; and edges with eight O(2,2,2)Li3NiSn2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Ni(1), and two equivalent Sn(1) atoms to form OLi3NiSn2 octahedra that share corners with six O(2,2)Li3NiSn2 octahedra; edges with four equivalent O(2)Li3NiSn2 octahedra; and edges with eight equivalent O(1)Li3Ni2Sn octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Ni(1), and two equivalent Sn(1) atoms to form OLi3NiSn2 octahedra that share corners with six equivalent O(2)Li3NiSn2 octahedra, edges with four equivalent O(2)Li3NiSn2 octahedra, and edges with eight equivalent O(1)Li3Ni2Sn octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Ni(1), and two equivalent Sn(1) atoms to form OLi3NiSn2 octahedra that share corners with six O(2,2)Li3NiSn2 octahedra; edges with four equivalent O(2)Li3NiSn2 octahedra; and edges with eight equivalent O(1)Li3Ni2Sn octahedra. The corner-sharing octahedral tilt angles range from 0-6°. is represented by the CIF card [CIF]
data_Li2NiSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.234
_cell_length_b   4.234
_cell_length_c   5.362
_cell_angle_alpha   66.744
_cell_angle_beta   66.744
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   79.755
_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  0.750  0.250  0.500  1.0
  Li  Li1  1  0.500  0.500  1.000  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.479  0.979  0.041  1.0
  O  O4  1  0.021  0.521  0.959  1.0
  O  O5  1  0.763  0.763  0.474  1.0
  O  O6  1  0.237  0.237  0.526  1.0
  Sn  Sn7  1  0.250  0.750  0.500  1.0
[/CIF]
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The structure described by Li2NiSnO4 is Caswellsilverite-derived structured and crystallizes in the tetragonal I-4m2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and four O(2,2) atoms to form LiO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, edges with four equivalent Ni(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second Li site, Li(2) is bonded to two O(2,2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, edges with four equivalent Ni(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. Sn(1) is bonded to two equivalent O(1) and four O(2,2) atoms to form SnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Sn(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), two equivalent Ni(1), and one Sn(1) atom to form OLi3Ni2Sn octahedra that share corners with six equivalent O(1)Li3Ni2Sn octahedra; edges with four equivalent O(1)Li3Ni2Sn octahedra; and edges with eight O(2,2,2)Li3NiSn2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Ni(1), and two equivalent Sn(1) atoms to form OLi3NiSn2 octahedra that share corners with six O(2,2)Li3NiSn2 octahedra; edges with four equivalent O(2)Li3NiSn2 octahedra; and edges with eight equivalent O(1)Li3Ni2Sn octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Ni(1), and two equivalent Sn(1) atoms to form OLi3NiSn2 octahedra that share corners with six equivalent O(2)Li3NiSn2 octahedra, edges with four equivalent O(2)Li3NiSn2 octahedra, and edges with eight equivalent O(1)Li3Ni2Sn octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Ni(1), and two equivalent Sn(1) atoms to form OLi3NiSn2 octahedra that share corners with six O(2,2)Li3NiSn2 octahedra; edges with four equivalent O(2)Li3NiSn2 octahedra; and edges with eight equivalent O(1)Li3Ni2Sn octahedra. The corner-sharing octahedral tilt angles range from 0-6°. is represented by the CIF card [CIF]
data_Li2NiSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.234
_cell_length_b   4.234
_cell_length_c   5.362
_cell_angle_alpha   66.744
_cell_angle_beta   66.744
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   79.755
_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  0.750  0.250  0.500  1.0
  Li  Li1  1  0.500  0.500  1.000  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.479  0.979  0.041  1.0
  O  O4  1  0.021  0.521  0.959  1.0
  O  O5  1  0.763  0.763  0.474  1.0
  O  O6  1  0.237  0.237  0.526  1.0
  Sn  Sn7  1  0.250  0.750  0.500  1.0
[/CIF]
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