LiCrNiO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Cr(1)O6 octahedra and corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-60°. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Cr(1), and one Ni(1) atom to form distorted OLiCr2Ni trigonal pyramids that share corners with six equivalent O(1)LiCr2Ni trigonal pyramids, corners with six equivalent O(2)LiCrNi2 trigonal pyramids,  an edgeedge with one O(1)LiCr2Ni trigonal pyramid, and edges with two equivalent O(2)LiCrNi2 trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), one Cr(1), and two equivalent Ni(1) atoms to form distorted OLiCrNi2 trigonal pyramids that share corners with six equivalent O(1)LiCr2Ni trigonal pyramids, corners with six equivalent O(2)LiCrNi2 trigonal pyramids,  an edgeedge with one O(2)LiCrNi2 trigonal pyramid, and edges with two equivalent O(1)LiCr2Ni trigonal pyramids.
LiCrNiO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Cr(1)O6 octahedra and corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-60°. Both Li(1)-O(1) bond lengths are 1.94 Å. Both Li(1)-O(2) bond lengths are 2.03 Å. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. Both Cr(1)-O(2) bond lengths are 1.98 Å. All Cr(1)-O(1) bond lengths are 1.96 Å. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. Both Ni(1)-O(1) bond lengths are 1.98 Å. All Ni(1)-O(2) bond lengths are 1.94 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Cr(1), and one Ni(1) atom to form distorted OLiCr2Ni trigonal pyramids that share corners with six equivalent O(1)LiCr2Ni trigonal pyramids, corners with six equivalent O(2)LiCrNi2 trigonal pyramids,  an edgeedge with one O(1)LiCr2Ni trigonal pyramid, and edges with two equivalent O(2)LiCrNi2 trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), one Cr(1), and two equivalent Ni(1) atoms to form distorted OLiCrNi2 trigonal pyramids that share corners with six equivalent O(1)LiCr2Ni trigonal pyramids, corners with six equivalent O(2)LiCrNi2 trigonal pyramids,  an edgeedge with one O(2)LiCrNi2 trigonal pyramid, and edges with two equivalent O(1)LiCr2Ni trigonal pyramids.