The structure described by LiNiPO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. 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 P(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with six equivalent Li(1)O6 octahedra and corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Ni(1), and one P(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Ni(1), and one P(1) atom. is represented by the CIF file [CIF]
data_LiNiPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.560
_cell_length_b   5.642
_cell_length_c   5.642
_cell_angle_alpha   61.740
_cell_angle_beta   60.479
_cell_angle_gamma   60.479
_symmetry_Int_Tables_number   1
_cell_volume   127.636
_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  1.000  0.000  1.000  1.0
  Li  Li1  1  0.500  0.000  1.000  1.0
  Ni  Ni2  1  0.500  0.500  0.000  1.0
  Ni  Ni3  1  0.500  1.000  0.500  1.0
  O  O4  1  0.762  0.711  0.265  1.0
  O  O5  1  0.238  0.735  0.289  1.0
  O  O6  1  0.762  0.265  0.711  1.0
  O  O7  1  0.238  0.289  0.735  1.0
  O  O8  1  0.219  0.261  0.261  1.0
  O  O9  1  0.760  0.261  0.261  1.0
  O  O10  1  0.240  0.739  0.739  1.0
  O  O11  1  0.781  0.739  0.739  1.0
  P  P12  1  0.870  0.380  0.380  1.0
  P  P13  1  0.130  0.620  0.620  1.0
[/CIF]
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The structure described by LiNiPO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. 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 P(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with six equivalent Li(1)O6 octahedra and corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Ni(1), and one P(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Ni(1), and one P(1) atom. is represented by the CIF file [CIF]
data_LiNiPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.560
_cell_length_b   5.642
_cell_length_c   5.642
_cell_angle_alpha   61.740
_cell_angle_beta   60.479
_cell_angle_gamma   60.479
_symmetry_Int_Tables_number   1
_cell_volume   127.636
_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  1.000  0.000  1.000  1.0
  Li  Li1  1  0.500  0.000  1.000  1.0
  Ni  Ni2  1  0.500  0.500  0.000  1.0
  Ni  Ni3  1  0.500  1.000  0.500  1.0
  O  O4  1  0.762  0.711  0.265  1.0
  O  O5  1  0.238  0.735  0.289  1.0
  O  O6  1  0.762  0.265  0.711  1.0
  O  O7  1  0.238  0.289  0.735  1.0
  O  O8  1  0.219  0.261  0.261  1.0
  O  O9  1  0.760  0.261  0.261  1.0
  O  O10  1  0.240  0.739  0.739  1.0
  O  O11  1  0.781  0.739  0.739  1.0
  P  P12  1  0.870  0.380  0.380  1.0
  P  P13  1  0.130  0.620  0.620  1.0
[/CIF]
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