The material structure described by LiNiPO4 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Ni(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Ni(2)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form NiO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. In the second Ni site, Ni(2) is bonded to one O(2), one O(5), one O(7), and one O(8) atom to form NiO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Ni(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, and corners with three equivalent Ni(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Ni(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, and corners with three equivalent Ni(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Ni(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Ni(2), and one P(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Ni(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Ni(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Ni(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(2), one Ni(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), 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   5.006
_cell_length_b   8.901
_cell_length_c   8.297
_cell_angle_alpha   108.619
_cell_angle_beta   89.999
_cell_angle_gamma   90.002
_symmetry_Int_Tables_number   1
_cell_volume   350.286
_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  0.835  0.993  0.114  1.0
  Li  Li1  1  0.165  0.993  0.614  1.0
  Li  Li2  1  0.323  0.501  0.257  1.0
  Li  Li3  1  0.677  0.501  0.757  1.0
  Ni  Ni4  1  0.816  0.732  0.336  1.0
  Ni  Ni5  1  0.184  0.733  0.837  1.0
  Ni  Ni6  1  0.658  0.235  0.975  1.0
  Ni  Ni7  1  0.342  0.235  0.476  1.0
  P  P8  1  0.313  0.865  0.229  1.0
  P  P9  1  0.687  0.865  0.729  1.0
  P  P10  1  0.821  0.370  0.364  1.0
  P  P11  1  0.179  0.370  0.864  1.0
  O  O12  1  0.181  0.885  0.069  1.0
  O  O13  1  0.819  0.885  0.568  1.0
  O  O14  1  0.318  0.353  0.024  1.0
  O  O15  1  0.682  0.353  0.524  1.0
  O  O16  1  0.620  0.849  0.204  1.0
  O  O17  1  0.380  0.849  0.704  1.0
  O  O18  1  0.200  0.716  0.267  1.0
  O  O19  1  0.800  0.716  0.767  1.0
  O  O20  1  0.745  0.224  0.208  1.0
  O  O21  1  0.255  0.224  0.708  1.0
  O  O22  1  0.713  0.520  0.328  1.0
  O  O23  1  0.287  0.520  0.828  1.0
  O  O24  1  0.127  0.385  0.394  1.0
  O  O25  1  0.872  0.385  0.894  1.0
  O  O26  1  0.237  0.011  0.383  1.0
  O  O27  1  0.764  0.011  0.883  1.0
[/CIF]
.
The material structure described by LiNiPO4 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Ni(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Ni(2)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form NiO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. In the second Ni site, Ni(2) is bonded to one O(2), one O(5), one O(7), and one O(8) atom to form NiO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Ni(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, and corners with three equivalent Ni(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Ni(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, and corners with three equivalent Ni(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Ni(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Ni(2), and one P(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Ni(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Ni(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Ni(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(2), one Ni(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), 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   5.006
_cell_length_b   8.901
_cell_length_c   8.297
_cell_angle_alpha   108.619
_cell_angle_beta   89.999
_cell_angle_gamma   90.002
_symmetry_Int_Tables_number   1
_cell_volume   350.286
_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  0.835  0.993  0.114  1.0
  Li  Li1  1  0.165  0.993  0.614  1.0
  Li  Li2  1  0.323  0.501  0.257  1.0
  Li  Li3  1  0.677  0.501  0.757  1.0
  Ni  Ni4  1  0.816  0.732  0.336  1.0
  Ni  Ni5  1  0.184  0.733  0.837  1.0
  Ni  Ni6  1  0.658  0.235  0.975  1.0
  Ni  Ni7  1  0.342  0.235  0.476  1.0
  P  P8  1  0.313  0.865  0.229  1.0
  P  P9  1  0.687  0.865  0.729  1.0
  P  P10  1  0.821  0.370  0.364  1.0
  P  P11  1  0.179  0.370  0.864  1.0
  O  O12  1  0.181  0.885  0.069  1.0
  O  O13  1  0.819  0.885  0.568  1.0
  O  O14  1  0.318  0.353  0.024  1.0
  O  O15  1  0.682  0.353  0.524  1.0
  O  O16  1  0.620  0.849  0.204  1.0
  O  O17  1  0.380  0.849  0.704  1.0
  O  O18  1  0.200  0.716  0.267  1.0
  O  O19  1  0.800  0.716  0.767  1.0
  O  O20  1  0.745  0.224  0.208  1.0
  O  O21  1  0.255  0.224  0.708  1.0
  O  O22  1  0.713  0.520  0.328  1.0
  O  O23  1  0.287  0.520  0.828  1.0
  O  O24  1  0.127  0.385  0.394  1.0
  O  O25  1  0.872  0.385  0.894  1.0
  O  O26  1  0.237  0.011  0.383  1.0
  O  O27  1  0.764  0.011  0.883  1.0
[/CIF]
.