LiNi(PO3)4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(5) and two equivalent O(6) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Ni(1)O6 octahedra. Ni(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form distorted NiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-36°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 27°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the second O site, O(6) 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(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(1) atom. In the fifth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(2) atom.
LiNi(PO3)4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(5) and two equivalent O(6) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Ni(1)O6 octahedra. Both Li(1)-O(5) bond lengths are 1.90 Å. Both Li(1)-O(6) bond lengths are 1.98 Å. Ni(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form distorted NiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. Both Ni(1)-O(2) bond lengths are 2.01 Å. Both Ni(1)-O(4) bond lengths are 2.40 Å. Both Ni(1)-O(6) bond lengths are 2.08 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-36°. The P(1)-O(1) bond length is 1.60 Å. The P(1)-O(2) bond length is 1.49 Å. The P(1)-O(3) bond length is 1.62 Å. The P(1)-O(6) bond length is 1.50 Å. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 27°. The P(2)-O(1) bond length is 1.61 Å. The P(2)-O(3) bond length is 1.60 Å. The P(2)-O(4) bond length is 1.51 Å. The P(2)-O(5) bond length is 1.50 Å. There are six inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the second O site, O(6) 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(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(1) atom. In the fifth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(2) atom.