Li2Cr(CoO3)2 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(3), one O(4), one O(5), and one O(6) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form CrO6 octahedra that share edges with three equivalent Co(1)O6 octahedra and edges with three equivalent Co(4)O6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form CrO6 octahedra that share edges with three equivalent Co(2)O6 octahedra and edges with three equivalent Co(3)O6 octahedra. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share edges with three equivalent Cr(1)O6 octahedra and edges with three equivalent Co(4)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share edges with three equivalent Cr(2)O6 octahedra and edges with three equivalent Co(3)O6 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share edges with three equivalent Cr(2)O6 octahedra and edges with three equivalent Co(2)O6 octahedra. In the fourth Co site, Co(4) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share edges with three equivalent Cr(1)O6 octahedra and edges with three equivalent Co(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Cr(1), one Co(1), and one Co(4) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Cr(2), one Co(2), and one Co(3) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Cr(2), one Co(2), and one Co(3) atom to form a mixture of distorted edge and corner-sharing OLi2CrCo2 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Cr(1), one Co(1), and one Co(4) atom to form a mixture of distorted edge and corner-sharing OLi2CrCo2 trigonal bipyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Cr(2), one Co(2), and one Co(3) atom to form a mixture of distorted edge and corner-sharing OLi2CrCo2 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Cr(1), one Co(1), and one Co(4) atom to form a mixture of distorted edge and corner-sharing OLi2CrCo2 square pyramids.
Li2Cr(CoO3)2 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), one O(5), and one O(6) atom. The Li(1)-O(3) bond length is 2.01 Å. The Li(1)-O(4) bond length is 2.16 Å. The Li(1)-O(5) bond length is 2.17 Å. The Li(1)-O(6) bond length is 2.02 Å. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(3), one O(4), one O(5), and one O(6) atom. The Li(2)-O(3) bond length is 2.02 Å. The Li(2)-O(4) bond length is 2.00 Å. The Li(2)-O(5) bond length is 1.99 Å. The Li(2)-O(6) bond length is 2.02 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form CrO6 octahedra that share edges with three equivalent Co(1)O6 octahedra and edges with three equivalent Co(4)O6 octahedra. Both Cr(1)-O(1) bond lengths are 2.00 Å. Both Cr(1)-O(4) bond lengths are 2.02 Å. Both Cr(1)-O(6) bond lengths are 2.02 Å. In the second Cr site, Cr(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form CrO6 octahedra that share edges with three equivalent Co(2)O6 octahedra and edges with three equivalent Co(3)O6 octahedra. Both Cr(2)-O(2) bond lengths are 2.00 Å. Both Cr(2)-O(3) bond lengths are 2.02 Å. Both Cr(2)-O(5) bond lengths are 2.03 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share edges with three equivalent Cr(1)O6 octahedra and edges with three equivalent Co(4)O6 octahedra. Both Co(1)-O(1) bond lengths are 1.90 Å. Both Co(1)-O(4) bond lengths are 1.94 Å. Both Co(1)-O(6) bond lengths are 2.13 Å. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share edges with three equivalent Cr(2)O6 octahedra and edges with three equivalent Co(3)O6 octahedra. Both Co(2)-O(2) bond lengths are 1.88 Å. Both Co(2)-O(3) bond lengths are 1.88 Å. Both Co(2)-O(5) bond lengths are 1.97 Å. In the third Co site, Co(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share edges with three equivalent Cr(2)O6 octahedra and edges with three equivalent Co(2)O6 octahedra. Both Co(3)-O(2) bond lengths are 1.90 Å. Both Co(3)-O(3) bond lengths are 2.12 Å. Both Co(3)-O(5) bond lengths are 1.95 Å. In the fourth Co site, Co(4) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share edges with three equivalent Cr(1)O6 octahedra and edges with three equivalent Co(1)O6 octahedra. Both Co(4)-O(1) bond lengths are 1.89 Å. Both Co(4)-O(4) bond lengths are 1.97 Å. Both Co(4)-O(6) bond lengths are 1.88 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Cr(1), one Co(1), and one Co(4) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Cr(2), one Co(2), and one Co(3) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Cr(2), one Co(2), and one Co(3) atom to form a mixture of distorted edge and corner-sharing OLi2CrCo2 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Cr(1), one Co(1), and one Co(4) atom to form a mixture of distorted edge and corner-sharing OLi2CrCo2 trigonal bipyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Cr(2), one Co(2), and one Co(3) atom to form a mixture of distorted edge and corner-sharing OLi2CrCo2 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Cr(1), one Co(1), and one Co(4) atom to form a mixture of distorted edge and corner-sharing OLi2CrCo2 square pyramids.