LiNi(PO3)4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent Ni(1)O6 octahedra. Ni(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Li(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-55°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 19-57°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one P(2) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the fourth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one P(1) atom. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(1) atom.
LiNi(PO3)4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent Ni(1)O6 octahedra. Both Li(1)-O(1) bond lengths are 2.06 Å. Both Li(1)-O(3) bond lengths are 2.29 Å. Both Li(1)-O(6) bond lengths are 2.20 Å. Ni(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Li(1)O6 octahedra. Both Ni(1)-O(3) bond lengths are 2.06 Å. Both Ni(1)-O(4) bond lengths are 2.04 Å. Both Ni(1)-O(6) bond lengths are 2.12 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-55°. The P(1)-O(2) bond length is 1.61 Å. The P(1)-O(3) bond length is 1.51 Å. The P(1)-O(4) bond length is 1.49 Å. The P(1)-O(5) bond length is 1.62 Å. In the second P site, P(2) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 19-57°. The P(2)-O(1) bond length is 1.49 Å. The P(2)-O(2) bond length is 1.61 Å. The P(2)-O(5) bond length is 1.61 Å. The P(2)-O(6) bond length is 1.51 Å. There are six inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one P(2) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the fourth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one P(1) atom. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(1) atom.