The crystal 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 Ni(2)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent Ni(1)O4 tetrahedra, and  an edgeedge with one P(1)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 Ni(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with three equivalent Ni(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(8) atom to form NiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. In the second Ni site, Ni(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form NiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, and corners with three equivalent P(1)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 Ni(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Ni(2)O4 tetrahedra, and  an edgeedge with one Li(1)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 Ni(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with three equivalent Ni(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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 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 distorted trigonal planar geometry to one Li(2), one Ni(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Ni(2), 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 distorted T-shaped geometry to one Li(1), one Ni(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiNiPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.354
_cell_length_b   7.941
_cell_length_c   8.428
_cell_angle_alpha   76.177
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   347.921
_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  0.850  0.034  0.070  1.0
  Li  Li1  1  0.341  0.498  0.280  1.0
  Li  Li2  1  0.150  0.034  0.570  1.0
  Li  Li3  1  0.659  0.498  0.780  1.0
  Ni  Ni4  1  0.339  0.125  0.204  1.0
  Ni  Ni5  1  0.836  0.637  0.389  1.0
  Ni  Ni6  1  0.661  0.125  0.704  1.0
  Ni  Ni7  1  0.164  0.637  0.889  1.0
  P  P8  1  0.664  0.754  0.013  1.0
  P  P9  1  0.834  0.259  0.328  1.0
  P  P10  1  0.336  0.754  0.513  1.0
  P  P11  1  0.166  0.259  0.828  1.0
  O  O12  1  0.173  0.128  0.997  1.0
  O  O13  1  0.394  0.686  0.051  1.0
  O  O14  1  0.698  0.178  0.201  1.0
  O  O15  1  0.112  0.297  0.277  1.0
  O  O16  1  0.788  0.784  0.171  1.0
  O  O17  1  0.694  0.426  0.338  1.0
  O  O18  1  0.827  0.128  0.497  1.0
  O  O19  1  0.196  0.619  0.439  1.0
  O  O20  1  0.316  0.936  0.397  1.0
  O  O21  1  0.606  0.686  0.551  1.0
  O  O22  1  0.302  0.178  0.701  1.0
  O  O23  1  0.888  0.297  0.777  1.0
  O  O24  1  0.212  0.784  0.671  1.0
  O  O25  1  0.306  0.426  0.838  1.0
  O  O26  1  0.804  0.619  0.939  1.0
  O  O27  1  0.684  0.936  0.897  1.0
[/CIF]
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The crystal 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 Ni(2)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent Ni(1)O4 tetrahedra, and  an edgeedge with one P(1)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 Ni(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with three equivalent Ni(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(8) atom to form NiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. In the second Ni site, Ni(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form NiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, and corners with three equivalent P(1)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 Ni(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Ni(2)O4 tetrahedra, and  an edgeedge with one Li(1)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 Ni(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with three equivalent Ni(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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 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 distorted trigonal planar geometry to one Li(2), one Ni(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Ni(2), 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 distorted T-shaped geometry to one Li(1), one Ni(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiNiPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.354
_cell_length_b   7.941
_cell_length_c   8.428
_cell_angle_alpha   76.177
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   347.921
_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  0.850  0.034  0.070  1.0
  Li  Li1  1  0.341  0.498  0.280  1.0
  Li  Li2  1  0.150  0.034  0.570  1.0
  Li  Li3  1  0.659  0.498  0.780  1.0
  Ni  Ni4  1  0.339  0.125  0.204  1.0
  Ni  Ni5  1  0.836  0.637  0.389  1.0
  Ni  Ni6  1  0.661  0.125  0.704  1.0
  Ni  Ni7  1  0.164  0.637  0.889  1.0
  P  P8  1  0.664  0.754  0.013  1.0
  P  P9  1  0.834  0.259  0.328  1.0
  P  P10  1  0.336  0.754  0.513  1.0
  P  P11  1  0.166  0.259  0.828  1.0
  O  O12  1  0.173  0.128  0.997  1.0
  O  O13  1  0.394  0.686  0.051  1.0
  O  O14  1  0.698  0.178  0.201  1.0
  O  O15  1  0.112  0.297  0.277  1.0
  O  O16  1  0.788  0.784  0.171  1.0
  O  O17  1  0.694  0.426  0.338  1.0
  O  O18  1  0.827  0.128  0.497  1.0
  O  O19  1  0.196  0.619  0.439  1.0
  O  O20  1  0.316  0.936  0.397  1.0
  O  O21  1  0.606  0.686  0.551  1.0
  O  O22  1  0.302  0.178  0.701  1.0
  O  O23  1  0.888  0.297  0.777  1.0
  O  O24  1  0.212  0.784  0.671  1.0
  O  O25  1  0.306  0.426  0.838  1.0
  O  O26  1  0.804  0.619  0.939  1.0
  O  O27  1  0.684  0.936  0.897  1.0
[/CIF]
.