LiNiPO4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a distorted T-shaped geometry to one O(3) and two equivalent O(4) atoms. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. 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 two equivalent Ni(1)O6 octahedra and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-49°. There are four inequivalent O sites. In the first O site, O(3) is bonded to one Li(1), two equivalent Ni(1), and one P(1) atom to form distorted edge-sharing OLiNi2P trigonal pyramids. In the second O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one P(1) atom. In the third O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Ni(1) and one P(1) atom. In the fourth O site, O(2) is bonded in a distorted 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 distorted T-shaped geometry to one O(3) and two equivalent O(4) atoms. The Li(1)-O(3) bond length is 1.97 Å. There is one shorter (1.86 Å) and one longer (2.02 Å) Li(1)-O(4) bond length. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. There is one shorter (2.03 Å) and one longer (2.04 Å) Ni(1)-O(1) bond length. There is one shorter (2.04 Å) and one longer (2.27 Å) Ni(1)-O(2) bond length. There is one shorter (2.12 Å) and one longer (2.31 Å) Ni(1)-O(3) 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 two equivalent Ni(1)O6 octahedra and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-49°. The P(1)-O(1) bond length is 1.59 Å. The P(1)-O(2) bond length is 1.55 Å. The P(1)-O(3) bond length is 1.58 Å. The P(1)-O(4) bond length is 1.52 Å. There are four inequivalent O sites. In the first O site, O(3) is bonded to one Li(1), two equivalent Ni(1), and one P(1) atom to form distorted edge-sharing OLiNi2P trigonal pyramids. In the second O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one P(1) atom. In the third O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Ni(1) and one P(1) atom. In the fourth O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Ni(1) and one P(1) atom.