Li2CrO2 crystallizes in the monoclinic P2_1/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 corner and edge-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 corner and edge-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 in a 6-coordinate geometry to one Li(2), three equivalent Li(1), and two equivalent Cr(1) atoms. 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 distorted edge-sharing OLi4Cr2 pentagonal pyramids.
Li2CrO2 crystallizes in the monoclinic P2_1/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 corner and edge-sharing LiO4 tetrahedra. The Li(1)-O(2) bond length is 2.00 Å. There is one shorter (1.99 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 corner and edge-sharing LiO4 tetrahedra. The Li(2)-O(1) bond length is 2.00 Å. All Li(2)-O(2) bond lengths are 2.02 Å. 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 2.07 Å. Both Cr(1)-O(2) bond lengths are 2.08 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(2), three equivalent Li(1), and two equivalent Cr(1) atoms. 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 distorted edge-sharing OLi4Cr2 pentagonal pyramids.