LiNiPO4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. 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,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. 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 Ni(1)O5 trigonal bipyramids and  an edgeedge with one Ni(1)O5 trigonal bipyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Ni(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Ni(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to two equivalent Ni(1) and one P(1) atom.
LiNiPO4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. The Li(1)-O(2) bond length is 2.07 Å. There is one shorter (1.87 Å) and one longer (1.93 Å) Li(1)-O(1) bond length. There is one shorter (2.45 Å) and one longer (2.57 Å) Li(1)-O(3) bond length. 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,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. The Ni(1)-O(1) bond length is 2.12 Å. The Ni(1)-O(2) bond length is 2.03 Å. The Ni(1)-O(3) bond length is 1.95 Å. There is one shorter (1.99 Å) and one longer (2.09 Å) Ni(1)-O(4) bond length. 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 Ni(1)O5 trigonal bipyramids and  an edgeedge with one Ni(1)O5 trigonal bipyramid. The P(1)-O(1) bond length is 1.57 Å. The P(1)-O(2) bond length is 1.54 Å. The P(1)-O(3) bond length is 1.54 Å. The P(1)-O(4) bond length is 1.55 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Ni(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Ni(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to two equivalent Ni(1) and one P(1) atom.