The material described by LiNiPO4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 74-77°. Ni(1) 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, corners with six equivalent P(1)O4 tetrahedra, and edges with two equivalent Ni(1)O6 octahedra. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-54°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Ni(1), and one P(1) atom to form distorted corner-sharing OLiNi2P tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Ni(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one P(1) atom. is represented by the CIF card [CIF]
data_LiNiPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.886
_cell_length_b   9.029
_cell_length_c   6.305
_cell_angle_alpha   90.000
_cell_angle_beta   89.999
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   278.176
_cell_formula_units_Z   4
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  0.479  0.163  0.750  1.0
  Li  Li1  1  0.979  0.337  0.250  1.0
  Li  Li2  1  0.021  0.663  0.750  1.0
  Li  Li3  1  0.521  0.837  0.250  1.0
  Ni  Ni4  1  1.000  1.000  0.500  1.0
  Ni  Ni5  1  0.500  0.500  0.500  1.0
  Ni  Ni6  1  0.000  0.000  1.000  1.0
  Ni  Ni7  1  0.500  0.500  0.000  1.0
  P  P8  1  0.476  0.179  0.250  1.0
  P  P9  1  0.976  0.321  0.750  1.0
  P  P10  1  0.024  0.679  0.250  1.0
  P  P11  1  0.524  0.821  0.750  1.0
  O  O12  1  0.787  0.135  0.250  1.0
  O  O13  1  0.287  0.365  0.750  1.0
  O  O14  1  0.713  0.635  0.250  1.0
  O  O15  1  0.213  0.865  0.750  1.0
  O  O16  1  0.924  0.148  0.750  1.0
  O  O17  1  0.424  0.352  0.250  1.0
  O  O18  1  0.576  0.648  0.750  1.0
  O  O19  1  0.076  0.852  0.250  1.0
  O  O20  1  0.340  0.119  0.047  1.0
  O  O21  1  0.340  0.119  0.453  1.0
  O  O22  1  0.840  0.381  0.953  1.0
  O  O23  1  0.840  0.381  0.547  1.0
  O  O24  1  0.160  0.619  0.047  1.0
  O  O25  1  0.160  0.619  0.453  1.0
  O  O26  1  0.660  0.881  0.547  1.0
  O  O27  1  0.660  0.881  0.953  1.0
[/CIF]
.
The material described by LiNiPO4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 74-77°. Ni(1) 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, corners with six equivalent P(1)O4 tetrahedra, and edges with two equivalent Ni(1)O6 octahedra. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-54°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Ni(1), and one P(1) atom to form distorted corner-sharing OLiNi2P tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Ni(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one P(1) atom. is represented by the CIF card [CIF]
data_LiNiPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.886
_cell_length_b   9.029
_cell_length_c   6.305
_cell_angle_alpha   90.000
_cell_angle_beta   89.999
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   278.176
_cell_formula_units_Z   4
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  0.479  0.163  0.750  1.0
  Li  Li1  1  0.979  0.337  0.250  1.0
  Li  Li2  1  0.021  0.663  0.750  1.0
  Li  Li3  1  0.521  0.837  0.250  1.0
  Ni  Ni4  1  1.000  1.000  0.500  1.0
  Ni  Ni5  1  0.500  0.500  0.500  1.0
  Ni  Ni6  1  0.000  0.000  1.000  1.0
  Ni  Ni7  1  0.500  0.500  0.000  1.0
  P  P8  1  0.476  0.179  0.250  1.0
  P  P9  1  0.976  0.321  0.750  1.0
  P  P10  1  0.024  0.679  0.250  1.0
  P  P11  1  0.524  0.821  0.750  1.0
  O  O12  1  0.787  0.135  0.250  1.0
  O  O13  1  0.287  0.365  0.750  1.0
  O  O14  1  0.713  0.635  0.250  1.0
  O  O15  1  0.213  0.865  0.750  1.0
  O  O16  1  0.924  0.148  0.750  1.0
  O  O17  1  0.424  0.352  0.250  1.0
  O  O18  1  0.576  0.648  0.750  1.0
  O  O19  1  0.076  0.852  0.250  1.0
  O  O20  1  0.340  0.119  0.047  1.0
  O  O21  1  0.340  0.119  0.453  1.0
  O  O22  1  0.840  0.381  0.953  1.0
  O  O23  1  0.840  0.381  0.547  1.0
  O  O24  1  0.160  0.619  0.047  1.0
  O  O25  1  0.160  0.619  0.453  1.0
  O  O26  1  0.660  0.881  0.547  1.0
  O  O27  1  0.660  0.881  0.953  1.0
[/CIF]
.