Li5Al(Co2O5)2 is alpha Po-derived structured and crystallizes in the trigonal R-3m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the second Li site, Li(2) is bonded to six equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Co(2)O6 octahedra, edges with six equivalent Li(2)O6 octahedra, and edges with six equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the third Li site, Li(3) is bonded to three equivalent O(4) and three equivalent O(5) atoms to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Al(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, edges with three equivalent Al(1)O6 octahedra, and edges with six equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent O(1) and three equivalent O(5) atoms to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the second Co site, Co(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with six equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. Al(1) is bonded to six equivalent O(4) atoms to form AlO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with six equivalent Li(3)O6 octahedra, and edges with six equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are five inequivalent O sites. In the first O site, O(3) is bonded to three equivalent Li(2) and three equivalent Co(2) atoms to form a mixture of corner and edge-sharing OLi3Co3 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(4) is bonded to three equivalent Li(3) and three equivalent Al(1) atoms to form OLi3Al3 octahedra that share corners with three equivalent O(4)Li3Al3 octahedra, corners with three equivalent O(5)Li3Co3 octahedra, edges with three equivalent O(5)Li3Co3 octahedra, and edges with nine equivalent O(4)Li3Al3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(5) is bonded to three equivalent Li(3) and three equivalent Co(1) atoms to form OLi3Co3 octahedra that share corners with three equivalent O(4)Li3Al3 octahedra, corners with three equivalent O(1)Li3Co3 octahedra, edges with three equivalent O(4)Li3Al3 octahedra, edges with three equivalent O(1)Li3Co3 octahedra, and edges with six equivalent O(5)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(1) is bonded to three equivalent Li(1) and three equivalent Co(1) atoms to form a mixture of corner and edge-sharing OLi3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fifth O site, O(2) is bonded to three equivalent Li(1) and three equivalent Co(2) atoms to form a mixture of corner and edge-sharing OLi3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°.
Li5Al(Co2O5)2 is alpha Po-derived structured and crystallizes in the trigonal R-3m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. All Li(1)-O(1) bond lengths are 2.11 Å. All Li(1)-O(2) bond lengths are 2.12 Å. In the second Li site, Li(2) is bonded to six equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Co(2)O6 octahedra, edges with six equivalent Li(2)O6 octahedra, and edges with six equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Li(2)-O(3) bond lengths are 2.12 Å. In the third Li site, Li(3) is bonded to three equivalent O(4) and three equivalent O(5) atoms to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Al(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, edges with three equivalent Al(1)O6 octahedra, and edges with six equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. All Li(3)-O(4) bond lengths are 2.16 Å. All Li(3)-O(5) bond lengths are 2.12 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent O(1) and three equivalent O(5) atoms to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. All Co(1)-O(1) bond lengths are 2.03 Å. All Co(1)-O(5) bond lengths are 2.03 Å. In the second Co site, Co(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with six equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Co(2)-O(2) bond lengths are 2.01 Å. All Co(2)-O(3) bond lengths are 2.02 Å. Al(1) is bonded to six equivalent O(4) atoms to form AlO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with six equivalent Li(3)O6 octahedra, and edges with six equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Al(1)-O(4) bond lengths are 1.96 Å. There are five inequivalent O sites. In the first O site, O(3) is bonded to three equivalent Li(2) and three equivalent Co(2) atoms to form a mixture of corner and edge-sharing OLi3Co3 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(4) is bonded to three equivalent Li(3) and three equivalent Al(1) atoms to form OLi3Al3 octahedra that share corners with three equivalent O(4)Li3Al3 octahedra, corners with three equivalent O(5)Li3Co3 octahedra, edges with three equivalent O(5)Li3Co3 octahedra, and edges with nine equivalent O(4)Li3Al3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(5) is bonded to three equivalent Li(3) and three equivalent Co(1) atoms to form OLi3Co3 octahedra that share corners with three equivalent O(4)Li3Al3 octahedra, corners with three equivalent O(1)Li3Co3 octahedra, edges with three equivalent O(4)Li3Al3 octahedra, edges with three equivalent O(1)Li3Co3 octahedra, and edges with six equivalent O(5)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(1) is bonded to three equivalent Li(1) and three equivalent Co(1) atoms to form a mixture of corner and edge-sharing OLi3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fifth O site, O(2) is bonded to three equivalent Li(1) and three equivalent Co(2) atoms to form a mixture of corner and edge-sharing OLi3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°.