Li3Cr(CoO3)2 is alpha Po-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the second Li site, Li(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the third Li site, Li(3) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form CrO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the second Cr site, Cr(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(5) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the second Co site, Co(2) is bonded to one O(4), two equivalent O(2), and three equivalent O(6) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(3), one Cr(2), and two equivalent Co(1) atoms to form OLi3CrCo2 octahedra that share  a cornercorner with one O(4)Li3Cr2Co octahedra,  a cornercorner with one O(1)Li3CrCo2 octahedra, corners with two equivalent O(5)Li3Co3 octahedra, corners with two equivalent O(6)Li3Co3 octahedra,  an edgeedge with one O(6)Li3Co3 octahedra, edges with two equivalent O(1)Li3CrCo2 octahedra, edges with two equivalent O(2)Li3CrCo2 octahedra, edges with three equivalent O(5)Li3Co3 octahedra, and edges with four equivalent O(3)Li3Cr2Co octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to one Li(3), two equivalent Li(2), one Cr(1), and two equivalent Co(2) atoms to form OLi3CrCo2 octahedra that share  a cornercorner with one O(3)Li3Cr2Co octahedra,  a cornercorner with one O(2)Li3CrCo2 octahedra, corners with two equivalent O(5)Li3Co3 octahedra, corners with two equivalent O(6)Li3Co3 octahedra,  an edgeedge with one O(5)Li3Co3 octahedra, edges with two equivalent O(1)Li3CrCo2 octahedra, edges with two equivalent O(2)Li3CrCo2 octahedra, edges with three equivalent O(6)Li3Co3 octahedra, and edges with four equivalent O(4)Li3Cr2Co octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) is bonded to one Li(3), two equivalent Li(1), two equivalent Cr(2), and one Co(1) atom to form OLi3Cr2Co octahedra that share  a cornercorner with one O(5)Li3Co3 octahedra,  a cornercorner with one O(2)Li3CrCo2 octahedra, corners with two equivalent O(3)Li3Cr2Co octahedra, corners with two equivalent O(4)Li3Cr2Co octahedra,  an edgeedge with one O(4)Li3Cr2Co octahedra, edges with two equivalent O(5)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with three equivalent O(3)Li3Cr2Co octahedra, and edges with four equivalent O(1)Li3CrCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Li(1), two equivalent Cr(1), and one Co(2) atom to form OLi3Cr2Co octahedra that share  a cornercorner with one O(6)Li3Co3 octahedra,  a cornercorner with one O(1)Li3CrCo2 octahedra, corners with two equivalent O(3)Li3Cr2Co octahedra, corners with two equivalent O(4)Li3Cr2Co octahedra,  an edgeedge with one O(3)Li3Cr2Co octahedra, edges with two equivalent O(5)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with three equivalent O(4)Li3Cr2Co octahedra, and edges with four equivalent O(2)Li3CrCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth O site, O(5) is bonded to one Li(1), two equivalent Li(2), and three equivalent Co(1) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(6)Li3Co3 octahedra,  a cornercorner with one O(3)Li3Cr2Co octahedra, corners with two equivalent O(1)Li3CrCo2 octahedra, corners with two equivalent O(2)Li3CrCo2 octahedra,  an edgeedge with one O(2)Li3CrCo2 octahedra, edges with two equivalent O(3)Li3Cr2Co octahedra, edges with two equivalent O(4)Li3Cr2Co octahedra, edges with three equivalent O(1)Li3CrCo2 octahedra, and edges with four equivalent O(5)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(6) is bonded to one Li(1), two equivalent Li(3), and three equivalent Co(2) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(5)Li3Co3 octahedra,  a cornercorner with one O(4)Li3Cr2Co octahedra, corners with two equivalent O(1)Li3CrCo2 octahedra, corners with two equivalent O(2)Li3CrCo2 octahedra,  an edgeedge with one O(1)Li3CrCo2 octahedra, edges with two equivalent O(3)Li3Cr2Co octahedra, edges with two equivalent O(4)Li3Cr2Co octahedra, edges with three equivalent O(2)Li3CrCo2 octahedra, and edges with four equivalent O(6)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°.
Li3Cr(CoO3)2 is alpha Po-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. The Li(1)-O(5) bond length is 2.13 Å. The Li(1)-O(6) bond length is 2.15 Å. There is one shorter (2.14 Å) and one longer (2.22 Å) Li(1)-O(3) bond length. There is one shorter (2.11 Å) and one longer (2.19 Å) Li(1)-O(4) bond length. In the second Li site, Li(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. The Li(2)-O(1) bond length is 2.13 Å. The Li(2)-O(4) bond length is 2.13 Å. There is one shorter (2.16 Å) and one longer (2.20 Å) Li(2)-O(2) bond length. There is one shorter (2.11 Å) and one longer (2.16 Å) Li(2)-O(5) bond length. In the third Li site, Li(3) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. The Li(3)-O(2) bond length is 2.12 Å. The Li(3)-O(3) bond length is 2.23 Å. There is one shorter (2.12 Å) and one longer (2.15 Å) Li(3)-O(1) bond length. There is one shorter (2.15 Å) and one longer (2.16 Å) Li(3)-O(6) bond length. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form CrO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. Both Cr(1)-O(2) bond lengths are 2.02 Å. All Cr(1)-O(4) bond lengths are 2.02 Å. In the second Cr site, Cr(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. Both Cr(2)-O(1) bond lengths are 2.02 Å. All Cr(2)-O(3) bond lengths are 2.03 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(5) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. The Co(1)-O(3) bond length is 2.00 Å. There is one shorter (2.03 Å) and one longer (2.06 Å) Co(1)-O(1) bond length. There are a spread of Co(1)-O(5) bond distances ranging from 1.97-2.08 Å. In the second Co site, Co(2) is bonded to one O(4), two equivalent O(2), and three equivalent O(6) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. The Co(2)-O(4) bond length is 2.05 Å. There is one shorter (1.97 Å) and one longer (2.10 Å) Co(2)-O(2) bond length. There are a spread of Co(2)-O(6) bond distances ranging from 1.96-2.08 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(3), one Cr(2), and two equivalent Co(1) atoms to form OLi3CrCo2 octahedra that share  a cornercorner with one O(4)Li3Cr2Co octahedra,  a cornercorner with one O(1)Li3CrCo2 octahedra, corners with two equivalent O(5)Li3Co3 octahedra, corners with two equivalent O(6)Li3Co3 octahedra,  an edgeedge with one O(6)Li3Co3 octahedra, edges with two equivalent O(1)Li3CrCo2 octahedra, edges with two equivalent O(2)Li3CrCo2 octahedra, edges with three equivalent O(5)Li3Co3 octahedra, and edges with four equivalent O(3)Li3Cr2Co octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to one Li(3), two equivalent Li(2), one Cr(1), and two equivalent Co(2) atoms to form OLi3CrCo2 octahedra that share  a cornercorner with one O(3)Li3Cr2Co octahedra,  a cornercorner with one O(2)Li3CrCo2 octahedra, corners with two equivalent O(5)Li3Co3 octahedra, corners with two equivalent O(6)Li3Co3 octahedra,  an edgeedge with one O(5)Li3Co3 octahedra, edges with two equivalent O(1)Li3CrCo2 octahedra, edges with two equivalent O(2)Li3CrCo2 octahedra, edges with three equivalent O(6)Li3Co3 octahedra, and edges with four equivalent O(4)Li3Cr2Co octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) is bonded to one Li(3), two equivalent Li(1), two equivalent Cr(2), and one Co(1) atom to form OLi3Cr2Co octahedra that share  a cornercorner with one O(5)Li3Co3 octahedra,  a cornercorner with one O(2)Li3CrCo2 octahedra, corners with two equivalent O(3)Li3Cr2Co octahedra, corners with two equivalent O(4)Li3Cr2Co octahedra,  an edgeedge with one O(4)Li3Cr2Co octahedra, edges with two equivalent O(5)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with three equivalent O(3)Li3Cr2Co octahedra, and edges with four equivalent O(1)Li3CrCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Li(1), two equivalent Cr(1), and one Co(2) atom to form OLi3Cr2Co octahedra that share  a cornercorner with one O(6)Li3Co3 octahedra,  a cornercorner with one O(1)Li3CrCo2 octahedra, corners with two equivalent O(3)Li3Cr2Co octahedra, corners with two equivalent O(4)Li3Cr2Co octahedra,  an edgeedge with one O(3)Li3Cr2Co octahedra, edges with two equivalent O(5)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with three equivalent O(4)Li3Cr2Co octahedra, and edges with four equivalent O(2)Li3CrCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth O site, O(5) is bonded to one Li(1), two equivalent Li(2), and three equivalent Co(1) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(6)Li3Co3 octahedra,  a cornercorner with one O(3)Li3Cr2Co octahedra, corners with two equivalent O(1)Li3CrCo2 octahedra, corners with two equivalent O(2)Li3CrCo2 octahedra,  an edgeedge with one O(2)Li3CrCo2 octahedra, edges with two equivalent O(3)Li3Cr2Co octahedra, edges with two equivalent O(4)Li3Cr2Co octahedra, edges with three equivalent O(1)Li3CrCo2 octahedra, and edges with four equivalent O(5)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(6) is bonded to one Li(1), two equivalent Li(3), and three equivalent Co(2) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(5)Li3Co3 octahedra,  a cornercorner with one O(4)Li3Cr2Co octahedra, corners with two equivalent O(1)Li3CrCo2 octahedra, corners with two equivalent O(2)Li3CrCo2 octahedra,  an edgeedge with one O(1)Li3CrCo2 octahedra, edges with two equivalent O(3)Li3Cr2Co octahedra, edges with two equivalent O(4)Li3Cr2Co octahedra, edges with three equivalent O(2)Li3CrCo2 octahedra, and edges with four equivalent O(6)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°.