LiNiCO4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-64°. Ni(1) is bonded to one O(4), two equivalent O(1), and three equivalent O(2) atoms to form NiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-64°. C(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Ni(1), and one C(1) atom. In the second O site, O(2) is bonded to one Li(1) and three equivalent Ni(1) atoms to form a mixture of distorted edge and corner-sharing OLiNi3 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Ni(1), and one C(1) atom.
LiNiCO4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-64°. The Li(1)-O(1) bond length is 2.20 Å. The Li(1)-O(2) bond length is 2.10 Å. There is one shorter (2.00 Å) and one longer (2.04 Å) Li(1)-O(3) bond length. There is one shorter (2.17 Å) and one longer (2.40 Å) Li(1)-O(4) bond length. Ni(1) is bonded to one O(4), two equivalent O(1), and three equivalent O(2) atoms to form NiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-64°. The Ni(1)-O(4) bond length is 1.97 Å. There is one shorter (1.99 Å) and one longer (2.30 Å) Ni(1)-O(1) bond length. There are a spread of Ni(1)-O(2) bond distances ranging from 1.86-2.10 Å. C(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. The C(1)-O(1) bond length is 1.32 Å. The C(1)-O(3) bond length is 1.25 Å. The C(1)-O(4) bond length is 1.30 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 one Li(1), two equivalent Ni(1), and one C(1) atom. In the second O site, O(2) is bonded to one Li(1) and three equivalent Ni(1) atoms to form a mixture of distorted edge and corner-sharing OLiNi3 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Ni(1), and one C(1) atom.