The crystal structure described by LiNiPO4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted LiO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra,  a cornercorner with one Ni(1)O5 trigonal bipyramid, corners with two equivalent Li(1)O5 trigonal bipyramids,  an edgeedge with one P(1)O4 tetrahedra,  an edgeedge with one Li(1)O5 trigonal bipyramid, and edges with two equivalent Ni(1)O5 trigonal bipyramids. Ni(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form distorted NiO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  an edgeedge with one P(1)O4 tetrahedra,  an edgeedge with one Ni(1)O5 trigonal bipyramid, and edges with two equivalent Li(1)O5 trigonal bipyramids. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Li(1)O5 trigonal bipyramids, corners with three equivalent Ni(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Li(1), one Ni(1), and one P(1) atom. In the second O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent Ni(1) and one P(1) atom. In the third O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Ni(1), and one P(1) atom. In the fourth O site, O(2) 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   4.977
_cell_length_b   4.976
_cell_length_c   15.690
_cell_angle_alpha   90.036
_cell_angle_beta   89.966
_cell_angle_gamma   114.189
_symmetry_Int_Tables_number   1
_cell_volume   354.423
_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  0.359  0.747  0.727  1.0
  Li  Li1  1  0.254  0.641  0.227  1.0
  Li  Li2  1  0.747  0.359  0.773  1.0
  Li  Li3  1  0.641  0.254  0.273  1.0
  Ni  Ni4  1  0.907  0.580  0.587  1.0
  Ni  Ni5  1  0.093  0.419  0.413  1.0
  Ni  Ni6  1  0.581  0.907  0.913  1.0
  Ni  Ni7  1  0.419  0.093  0.087  1.0
  P  P8  1  0.233  0.281  0.626  1.0
  P  P9  1  0.281  0.234  0.874  1.0
  P  P10  1  0.719  0.766  0.126  1.0
  P  P11  1  0.766  0.719  0.374  1.0
  O  O12  1  0.018  0.354  0.685  1.0
  O  O13  1  0.646  0.982  0.185  1.0
  O  O14  1  0.354  0.018  0.815  1.0
  O  O15  1  0.982  0.646  0.315  1.0
  O  O16  1  0.963  0.205  0.869  1.0
  O  O17  1  0.795  0.037  0.369  1.0
  O  O18  1  0.205  0.963  0.631  1.0
  O  O19  1  0.037  0.795  0.131  1.0
  O  O20  1  0.504  0.545  0.846  1.0
  O  O21  1  0.454  0.496  0.346  1.0
  O  O22  1  0.545  0.504  0.654  1.0
  O  O23  1  0.496  0.454  0.154  1.0
  O  O24  1  0.161  0.362  0.535  1.0
  O  O25  1  0.638  0.839  0.035  1.0
  O  O26  1  0.363  0.161  0.965  1.0
  O  O27  1  0.839  0.638  0.465  1.0
[/CIF]
.
The crystal structure described by LiNiPO4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted LiO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra,  a cornercorner with one Ni(1)O5 trigonal bipyramid, corners with two equivalent Li(1)O5 trigonal bipyramids,  an edgeedge with one P(1)O4 tetrahedra,  an edgeedge with one Li(1)O5 trigonal bipyramid, and edges with two equivalent Ni(1)O5 trigonal bipyramids. Ni(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form distorted NiO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  an edgeedge with one P(1)O4 tetrahedra,  an edgeedge with one Ni(1)O5 trigonal bipyramid, and edges with two equivalent Li(1)O5 trigonal bipyramids. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Li(1)O5 trigonal bipyramids, corners with three equivalent Ni(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Li(1), one Ni(1), and one P(1) atom. In the second O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent Ni(1) and one P(1) atom. In the third O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Ni(1), and one P(1) atom. In the fourth O site, O(2) 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   4.977
_cell_length_b   4.976
_cell_length_c   15.690
_cell_angle_alpha   90.036
_cell_angle_beta   89.966
_cell_angle_gamma   114.189
_symmetry_Int_Tables_number   1
_cell_volume   354.423
_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  0.359  0.747  0.727  1.0
  Li  Li1  1  0.254  0.641  0.227  1.0
  Li  Li2  1  0.747  0.359  0.773  1.0
  Li  Li3  1  0.641  0.254  0.273  1.0
  Ni  Ni4  1  0.907  0.580  0.587  1.0
  Ni  Ni5  1  0.093  0.419  0.413  1.0
  Ni  Ni6  1  0.581  0.907  0.913  1.0
  Ni  Ni7  1  0.419  0.093  0.087  1.0
  P  P8  1  0.233  0.281  0.626  1.0
  P  P9  1  0.281  0.234  0.874  1.0
  P  P10  1  0.719  0.766  0.126  1.0
  P  P11  1  0.766  0.719  0.374  1.0
  O  O12  1  0.018  0.354  0.685  1.0
  O  O13  1  0.646  0.982  0.185  1.0
  O  O14  1  0.354  0.018  0.815  1.0
  O  O15  1  0.982  0.646  0.315  1.0
  O  O16  1  0.963  0.205  0.869  1.0
  O  O17  1  0.795  0.037  0.369  1.0
  O  O18  1  0.205  0.963  0.631  1.0
  O  O19  1  0.037  0.795  0.131  1.0
  O  O20  1  0.504  0.545  0.846  1.0
  O  O21  1  0.454  0.496  0.346  1.0
  O  O22  1  0.545  0.504  0.654  1.0
  O  O23  1  0.496  0.454  0.154  1.0
  O  O24  1  0.161  0.362  0.535  1.0
  O  O25  1  0.638  0.839  0.035  1.0
  O  O26  1  0.363  0.161  0.965  1.0
  O  O27  1  0.839  0.638  0.465  1.0
[/CIF]
.