The crystal structure described by LiNiSbO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra and corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-60°. 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 Ni(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. Sb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SbO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Sb(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Ni(1), and two equivalent Sb(1) atoms to form distorted OLiNiSb2 trigonal pyramids that share corners with six equivalent O(2)LiNi2Sb trigonal pyramids, corners with six equivalent O(1)LiNiSb2 trigonal pyramids,  an edgeedge with one O(1)LiNiSb2 trigonal pyramid, and edges with two equivalent O(2)LiNi2Sb trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), two equivalent Ni(1), and one Sb(1) atom to form distorted OLiNi2Sb trigonal pyramids that share corners with six equivalent O(2)LiNi2Sb trigonal pyramids, corners with six equivalent O(1)LiNiSb2 trigonal pyramids,  an edgeedge with one O(2)LiNi2Sb trigonal pyramid, and edges with two equivalent O(1)LiNiSb2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiNiSbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.057
_cell_length_b   6.119
_cell_length_c   6.119
_cell_angle_alpha   61.006
_cell_angle_beta   60.336
_cell_angle_gamma   60.336
_symmetry_Int_Tables_number   1
_cell_volume   162.357
_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  0.857  0.893  0.893  1.0
  Li  Li1  1  0.143  0.107  0.107  1.0
  Ni  Ni2  1  0.000  0.500  0.500  1.0
  Ni  Ni3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.728  0.748  0.748  1.0
  O  O5  1  0.276  0.748  0.748  1.0
  O  O6  1  0.724  0.252  0.252  1.0
  O  O7  1  0.272  0.252  0.252  1.0
  O  O8  1  0.727  0.293  0.752  1.0
  O  O9  1  0.727  0.752  0.293  1.0
  O  O10  1  0.273  0.707  0.248  1.0
  O  O11  1  0.273  0.248  0.707  1.0
  Sb  Sb12  1  0.500  0.500  0.000  1.0
  Sb  Sb13  1  0.500  0.000  0.500  1.0
[/CIF]
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The crystal structure described by LiNiSbO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra and corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-60°. 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 Ni(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. Sb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SbO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Sb(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Ni(1), and two equivalent Sb(1) atoms to form distorted OLiNiSb2 trigonal pyramids that share corners with six equivalent O(2)LiNi2Sb trigonal pyramids, corners with six equivalent O(1)LiNiSb2 trigonal pyramids,  an edgeedge with one O(1)LiNiSb2 trigonal pyramid, and edges with two equivalent O(2)LiNi2Sb trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), two equivalent Ni(1), and one Sb(1) atom to form distorted OLiNi2Sb trigonal pyramids that share corners with six equivalent O(2)LiNi2Sb trigonal pyramids, corners with six equivalent O(1)LiNiSb2 trigonal pyramids,  an edgeedge with one O(2)LiNi2Sb trigonal pyramid, and edges with two equivalent O(1)LiNiSb2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiNiSbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.057
_cell_length_b   6.119
_cell_length_c   6.119
_cell_angle_alpha   61.006
_cell_angle_beta   60.336
_cell_angle_gamma   60.336
_symmetry_Int_Tables_number   1
_cell_volume   162.357
_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  0.857  0.893  0.893  1.0
  Li  Li1  1  0.143  0.107  0.107  1.0
  Ni  Ni2  1  0.000  0.500  0.500  1.0
  Ni  Ni3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.728  0.748  0.748  1.0
  O  O5  1  0.276  0.748  0.748  1.0
  O  O6  1  0.724  0.252  0.252  1.0
  O  O7  1  0.272  0.252  0.252  1.0
  O  O8  1  0.727  0.293  0.752  1.0
  O  O9  1  0.727  0.752  0.293  1.0
  O  O10  1  0.273  0.707  0.248  1.0
  O  O11  1  0.273  0.248  0.707  1.0
  Sb  Sb12  1  0.500  0.500  0.000  1.0
  Sb  Sb13  1  0.500  0.000  0.500  1.0
[/CIF]
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