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(4), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Ni(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent Ni(2)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(8) atom. In the second Ni site, Ni(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form NiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with three equivalent Li(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Ni(2)O4 tetrahedra, and corners with three equivalent Li(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Ni(2)O4 tetrahedra, and corners with three equivalent Li(1)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(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Ni(2), 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(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Ni(1), one Ni(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Ni(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Ni(2), 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(1) atom. In the eighth O site, O(8) is bonded in a T-shaped 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   5.230
_cell_length_b   7.931
_cell_length_c   8.478
_cell_angle_alpha   104.577
_cell_angle_beta   89.989
_cell_angle_gamma   89.995
_symmetry_Int_Tables_number   1
_cell_volume   340.291
_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  0.339  0.874  0.209  1.0
  Li  Li1  1  0.661  0.874  0.709  1.0
  Li  Li2  1  0.823  0.356  0.383  1.0
  Li  Li3  1  0.177  0.356  0.883  1.0
  Ni  Ni4  1  0.168  0.954  0.552  1.0
  Ni  Ni5  1  0.323  0.490  0.267  1.0
  Ni  Ni6  1  0.832  0.954  0.052  1.0
  Ni  Ni7  1  0.677  0.489  0.767  1.0
  P  P8  1  0.678  0.253  0.012  1.0
  P  P9  1  0.322  0.253  0.512  1.0
  P  P10  1  0.822  0.741  0.335  1.0
  P  P11  1  0.178  0.741  0.835  1.0
  O  O12  1  0.193  0.877  0.003  1.0
  O  O13  1  0.807  0.877  0.503  1.0
  O  O14  1  0.401  0.321  0.058  1.0
  O  O15  1  0.599  0.320  0.558  1.0
  O  O16  1  0.707  0.815  0.198  1.0
  O  O17  1  0.293  0.815  0.698  1.0
  O  O18  1  0.118  0.708  0.305  1.0
  O  O19  1  0.882  0.708  0.805  1.0
  O  O20  1  0.818  0.217  0.162  1.0
  O  O21  1  0.182  0.216  0.662  1.0
  O  O22  1  0.677  0.573  0.341  1.0
  O  O23  1  0.323  0.573  0.841  1.0
  O  O24  1  0.181  0.390  0.440  1.0
  O  O25  1  0.819  0.390  0.940  1.0
  O  O26  1  0.320  0.071  0.388  1.0
  O  O27  1  0.680  0.071  0.888  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(4), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Ni(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent Ni(2)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(8) atom. In the second Ni site, Ni(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form NiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with three equivalent Li(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Ni(2)O4 tetrahedra, and corners with three equivalent Li(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Ni(2)O4 tetrahedra, and corners with three equivalent Li(1)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(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Ni(2), 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(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Ni(1), one Ni(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Ni(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Ni(2), 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(1) atom. In the eighth O site, O(8) is bonded in a T-shaped 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   5.230
_cell_length_b   7.931
_cell_length_c   8.478
_cell_angle_alpha   104.577
_cell_angle_beta   89.989
_cell_angle_gamma   89.995
_symmetry_Int_Tables_number   1
_cell_volume   340.291
_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  0.339  0.874  0.209  1.0
  Li  Li1  1  0.661  0.874  0.709  1.0
  Li  Li2  1  0.823  0.356  0.383  1.0
  Li  Li3  1  0.177  0.356  0.883  1.0
  Ni  Ni4  1  0.168  0.954  0.552  1.0
  Ni  Ni5  1  0.323  0.490  0.267  1.0
  Ni  Ni6  1  0.832  0.954  0.052  1.0
  Ni  Ni7  1  0.677  0.489  0.767  1.0
  P  P8  1  0.678  0.253  0.012  1.0
  P  P9  1  0.322  0.253  0.512  1.0
  P  P10  1  0.822  0.741  0.335  1.0
  P  P11  1  0.178  0.741  0.835  1.0
  O  O12  1  0.193  0.877  0.003  1.0
  O  O13  1  0.807  0.877  0.503  1.0
  O  O14  1  0.401  0.321  0.058  1.0
  O  O15  1  0.599  0.320  0.558  1.0
  O  O16  1  0.707  0.815  0.198  1.0
  O  O17  1  0.293  0.815  0.698  1.0
  O  O18  1  0.118  0.708  0.305  1.0
  O  O19  1  0.882  0.708  0.805  1.0
  O  O20  1  0.818  0.217  0.162  1.0
  O  O21  1  0.182  0.216  0.662  1.0
  O  O22  1  0.677  0.573  0.341  1.0
  O  O23  1  0.323  0.573  0.841  1.0
  O  O24  1  0.181  0.390  0.440  1.0
  O  O25  1  0.819  0.390  0.940  1.0
  O  O26  1  0.320  0.071  0.388  1.0
  O  O27  1  0.680  0.071  0.888  1.0
[/CIF]
.