Li2CrO2 is Ilmenite-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2) and three equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1) and three equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. Cr(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), three equivalent Li(1), and two equivalent Cr(1) atoms to form a mixture of edge and corner-sharing OLi4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 3-42°. In the second O site, O(2) is bonded to one Li(1), three equivalent Li(2), and two equivalent Cr(1) atoms to form a mixture of edge and corner-sharing OLi4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 3-42°.
Li2CrO2 is Ilmenite-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2) and three equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. The Li(1)-O(2) bond length is 1.98 Å. There is one shorter (1.98 Å) and two longer (2.02 Å) Li(1)-O(1) bond lengths. In the second Li site, Li(2) is bonded to one O(1) and three equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. The Li(2)-O(1) bond length is 1.96 Å. There is one shorter (1.96 Å) and two longer (2.02 Å) Li(2)-O(2) bond lengths. Cr(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Cr(1)-O(1) bond lengths are 2.05 Å. Both Cr(1)-O(2) bond lengths are 2.05 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), three equivalent Li(1), and two equivalent Cr(1) atoms to form a mixture of edge and corner-sharing OLi4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 3-42°. In the second O site, O(2) is bonded to one Li(1), three equivalent Li(2), and two equivalent Cr(1) atoms to form a mixture of edge and corner-sharing OLi4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 3-42°.