The compound described by Li3Cr3CoO8 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(6), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(5)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the second Li site, Li(2) is bonded to one O(10), one O(11), one O(13), one O(2), one O(5), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(5)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the third Li site, Li(3) is bonded to one O(11), one O(12), one O(2), one O(3), one O(6), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Cr(6)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Li(1)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 5-12°. In the fourth Li site, Li(4) is bonded to one O(13), one O(14), one O(16), one O(4), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, corners with two equivalent Cr(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the fifth Li site, Li(5) is bonded to one O(1), one O(12), one O(15), one O(16), one O(3), and one O(4) atom to form LiO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, edges with two equivalent Cr(5)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the sixth Li site, Li(6) is bonded to one O(13), one O(14), one O(15), one O(4), one O(5), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. There are six inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(12), one O(15), one O(2), one O(3), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the second Cr site, Cr(2) is bonded to one O(10), one O(13), one O(14), one O(4), one O(5), and one O(7) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the third Cr site, Cr(3) is bonded to one O(10), one O(11), one O(12), one O(2), one O(6), and one O(7) atom to form CrO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the fourth Cr site, Cr(4) is bonded to one O(11), one O(13), one O(14), one O(5), one O(7), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the fifth Cr site, Cr(5) is bonded to one O(1), one O(13), one O(15), one O(16), one O(4), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the sixth Cr site, Cr(6) is bonded to one O(14), one O(15), one O(16), one O(3), one O(4), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(11), one O(2), one O(5), one O(6), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the second Co site, Co(2) is bonded to one O(1), one O(12), one O(16), one O(3), one O(6), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(5), one Cr(1), one Cr(5), and one Co(2) atom to form OLi2Cr2Co square pyramids that share  a cornercorner with one O(13)Li3Cr3 octahedra,  a cornercorner with one O(10)Li2Cr2Co square pyramid,  a cornercorner with one O(16)Li2Cr2Co square pyramid,  a cornercorner with one O(3)Li2Cr2Co square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid,  a cornercorner with one O(8)Li2Cr3 square pyramid, corners with three equivalent O(9)Li2CrCo2 square pyramids,  an edgeedge with one O(2)Li3Cr2Co octahedra,  an edgeedge with one O(4)Li3Cr3 octahedra, edges with two equivalent O(12)Li3Cr2Co octahedra,  an edgeedge with one O(16)Li2Cr2Co square pyramid,  an edgeedge with one O(3)Li2Cr2Co square pyramid,  an edgeedge with one O(15)Li2Cr3 square pyramid, and  an edgeedge with one O(6)Li2CrCo2 square pyramid. The corner-sharing octahedral tilt angles are 6°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Cr(1), one Cr(3), and one Co(1) atom to form OLi3Cr2Co octahedra that share  a cornercorner with one O(13)Li3Cr3 octahedra, corners with two equivalent O(12)Li3Cr2Co octahedra,  a cornercorner with one O(15)Li2Cr3 square pyramid, corners with two equivalent O(11)Li2Cr2Co square pyramids,  an edgeedge with one O(12)Li3Cr2Co octahedra,  an edgeedge with one O(1)Li2Cr2Co square pyramid,  an edgeedge with one O(11)Li2Cr2Co square pyramid,  an edgeedge with one O(3)Li2Cr2Co square pyramid,  an edgeedge with one O(5)Li2Cr2Co square pyramid,  an edgeedge with one O(7)Li2Cr3 square pyramid, edges with two equivalent O(10)Li2Cr2Co square pyramids, edges with two equivalent O(6)Li2CrCo2 square pyramids, and edges with two equivalent O(9)Li2CrCo2 square pyramids. The corner-sharing octahedral tilt angles range from 1-3°. In the third O site, O(3) is bonded to one Li(3), one Li(5), one Cr(1), one Cr(6), and one Co(2) atom to form OLi2Cr2Co square pyramids that share corners with two equivalent O(12)Li3Cr2Co octahedra,  a cornercorner with one O(1)Li2Cr2Co square pyramid,  a cornercorner with one O(11)Li2Cr2Co square pyramid,  a cornercorner with one O(16)Li2Cr2Co square pyramid,  a cornercorner with one O(14)Li2Cr3 square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid,  a cornercorner with one O(8)Li2Cr3 square pyramid,  a cornercorner with one O(9)Li2CrCo2 square pyramid,  an edgeedge with one O(12)Li3Cr2Co octahedra,  an edgeedge with one O(2)Li3Cr2Co octahedra,  an edgeedge with one O(4)Li3Cr3 octahedra,  an edgeedge with one O(1)Li2Cr2Co square pyramid,  an edgeedge with one O(16)Li2Cr2Co square pyramid,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(6)Li2CrCo2 square pyramid, and  an edgeedge with one O(9)Li2CrCo2 square pyramid. The corner-sharing octahedral tilt angles range from 1-2°. In the fourth O site, O(4) is bonded to one Li(4), one Li(5), one Li(6), one Cr(2), one Cr(5), and one Cr(6) atom to form OLi3Cr3 octahedra that share  a cornercorner with one O(12)Li3Cr2Co octahedra,  a cornercorner with one O(10)Li2Cr2Co square pyramid, corners with two equivalent O(14)Li2Cr3 square pyramids, corners with two equivalent O(15)Li2Cr3 square pyramids, edges with two equivalent O(13)Li3Cr3 octahedra,  an edgeedge with one O(1)Li2Cr2Co square pyramid,  an edgeedge with one O(3)Li2Cr2Co square pyramid,  an edgeedge with one O(5)Li2Cr2Co square pyramid,  an edgeedge with one O(14)Li2Cr3 square pyramid,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(7)Li2Cr3 square pyramid, edges with two equivalent O(16)Li2Cr2Co square pyramids, and edges with two equivalent O(8)Li2Cr3 square pyramids. The corner-sharing octahedral tilt angles are 1°. In the fifth O site, O(5) is bonded to one Li(2), one Li(6), one Cr(2), one Cr(4), and one Co(1) atom to form OLi2Cr2Co square pyramids that share  a cornercorner with one O(10)Li2Cr2Co square pyramid,  a cornercorner with one O(11)Li2Cr2Co square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid,  a cornercorner with one O(7)Li2Cr3 square pyramid,  a cornercorner with one O(6)Li2CrCo2 square pyramid,  a cornercorner with one O(9)Li2CrCo2 square pyramid, corners with three equivalent O(14)Li2Cr3 square pyramids,  an edgeedge with one O(2)Li3Cr2Co octahedra,  an edgeedge with one O(4)Li3Cr3 octahedra, edges with two equivalent O(13)Li3Cr3 octahedra,  an edgeedge with one O(10)Li2Cr2Co square pyramid,  an edgeedge with one O(11)Li2Cr2Co square pyramid,  an edgeedge with one O(7)Li2Cr3 square pyramid, and  an edgeedge with one O(8)Li2Cr3 square pyramid. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Cr(3), one Co(1), and one Co(2) atom to form OLi2CrCo2 square pyramids that share  a cornercorner with one O(11)Li2Cr2Co square pyramid,  a cornercorner with one O(16)Li2Cr2Co square pyramid,  a cornercorner with one O(5)Li2Cr2Co square pyramid,  a cornercorner with one O(7)Li2Cr3 square pyramid, corners with two equivalent O(9)Li2CrCo2 square pyramids, corners with three equivalent O(10)Li2Cr2Co square pyramids, edges with two equivalent O(12)Li3Cr2Co octahedra, edges with two equivalent O(2)Li3Cr2Co octahedra,  an edgeedge with one O(1)Li2Cr2Co square pyramid,  an edgeedge with one O(11)Li2Cr2Co square pyramid,  an edgeedge with one O(3)Li2Cr2Co square pyramid, and  an edgeedge with one O(9)Li2CrCo2 square pyramid. In the seventh O site, O(7) is bonded to one Li(2), one Li(4), one Cr(2), one Cr(3), and one Cr(4) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(12)Li3Cr2Co octahedra, corners with two equivalent O(13)Li3Cr3 octahedra,  a cornercorner with one O(10)Li2Cr2Co square pyramid,  a cornercorner with one O(11)Li2Cr2Co square pyramid,  a cornercorner with one O(16)Li2Cr2Co square pyramid,  a cornercorner with one O(5)Li2Cr2Co square pyramid,  a cornercorner with one O(14)Li2Cr3 square pyramid,  a cornercorner with one O(6)Li2CrCo2 square pyramid,  an edgeedge with one O(2)Li3Cr2Co octahedra,  an edgeedge with one O(13)Li3Cr3 octahedra,  an edgeedge with one O(4)Li3Cr3 octahedra,  an edgeedge with one O(10)Li2Cr2Co square pyramid,  an edgeedge with one O(11)Li2Cr2Co square pyramid,  an edgeedge with one O(5)Li2Cr2Co square pyramid,  an edgeedge with one O(14)Li2Cr3 square pyramid, and  an edgeedge with one O(8)Li2Cr3 square pyramid. The corner-sharing octahedral tilt angles range from 1-3°. In the eighth O site, O(8) is bonded to one Li(4), one Li(6), one Cr(4), one Cr(5), and one Cr(6) atom to form OLi2Cr3 square pyramids that share corners with two equivalent O(13)Li3Cr3 octahedra,  a cornercorner with one O(1)Li2Cr2Co square pyramid,  a cornercorner with one O(11)Li2Cr2Co square pyramid,  a cornercorner with one O(3)Li2Cr2Co square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid, corners with three equivalent O(16)Li2Cr2Co square pyramids,  an edgeedge with one O(13)Li3Cr3 octahedra, edges with two equivalent O(4)Li3Cr3 octahedra,  an edgeedge with one O(5)Li2Cr2Co square pyramid,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(7)Li2Cr3 square pyramid, and edges with two equivalent O(14)Li2Cr3 square pyramids. The corner-sharing octahedral tilt angles range from 2-5°. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Cr(1), one Co(1), and one Co(2) atom to form OLi2CrCo2 square pyramids that share  a cornercorner with one O(16)Li2Cr2Co square pyramid,  a cornercorner with one O(3)Li2Cr2Co square pyramid,  a cornercorner with one O(5)Li2Cr2Co square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid, corners with two equivalent O(6)Li2CrCo2 square pyramids, corners with three equivalent O(1)Li2Cr2Co square pyramids, edges with two equivalent O(12)Li3Cr2Co octahedra, edges with two equivalent O(2)Li3Cr2Co octahedra,  an edgeedge with one O(10)Li2Cr2Co square pyramid,  an edgeedge with one O(11)Li2Cr2Co square pyramid,  an edgeedge with one O(3)Li2Cr2Co square pyramid, and  an edgeedge with one O(6)Li2CrCo2 square pyramid. In the tenth O site, O(10) is bonded to one Li(1), one Li(2), one Cr(2), one Cr(3), and one Co(1) atom to form OLi2Cr2Co square pyramids that share  a cornercorner with one O(4)Li3Cr3 octahedra,  a cornercorner with one O(1)Li2Cr2Co square pyramid,  a cornercorner with one O(11)Li2Cr2Co square pyramid,  a cornercorner with one O(5)Li2Cr2Co square pyramid,  a cornercorner with one O(14)Li2Cr3 square pyramid,  a cornercorner with one O(7)Li2Cr3 square pyramid, corners with three equivalent O(6)Li2CrCo2 square pyramids,  an edgeedge with one O(12)Li3Cr2Co octahedra,  an edgeedge with one O(13)Li3Cr3 octahedra, edges with two equivalent O(2)Li3Cr2Co octahedra,  an edgeedge with one O(11)Li2Cr2Co square pyramid,  an edgeedge with one O(5)Li2Cr2Co square pyramid,  an edgeedge with one O(7)Li2Cr3 square pyramid, and  an edgeedge with one O(9)Li2CrCo2 square pyramid. The corner-sharing octahedral tilt angles are 5°. In the eleventh O site, O(11) is bonded to one Li(2), one Li(3), one Cr(3), one Cr(4), and one Co(1) atom to form OLi2Cr2Co square pyramids that share corners with two equivalent O(2)Li3Cr2Co octahedra,  a cornercorner with one O(10)Li2Cr2Co square pyramid,  a cornercorner with one O(3)Li2Cr2Co square pyramid,  a cornercorner with one O(5)Li2Cr2Co square pyramid,  a cornercorner with one O(14)Li2Cr3 square pyramid,  a cornercorner with one O(7)Li2Cr3 square pyramid,  a cornercorner with one O(8)Li2Cr3 square pyramid,  a cornercorner with one O(6)Li2CrCo2 square pyramid,  an edgeedge with one O(12)Li3Cr2Co octahedra,  an edgeedge with one O(2)Li3Cr2Co octahedra,  an edgeedge with one O(13)Li3Cr3 octahedra,  an edgeedge with one O(10)Li2Cr2Co square pyramid,  an edgeedge with one O(5)Li2Cr2Co square pyramid,  an edgeedge with one O(7)Li2Cr3 square pyramid,  an edgeedge with one O(6)Li2CrCo2 square pyramid, and  an edgeedge with one O(9)Li2CrCo2 square pyramid. The corner-sharing octahedral tilt angles range from 2-3°. In the twelfth O site, O(12) is bonded to one Li(1), one Li(3), one Li(5), one Cr(1), one Cr(3), and one Co(2) atom to form OLi3Cr2Co octahedra that share  a cornercorner with one O(4)Li3Cr3 octahedra, corners with two equivalent O(2)Li3Cr2Co octahedra,  a cornercorner with one O(7)Li2Cr3 square pyramid, corners with two equivalent O(3)Li2Cr2Co square pyramids,  an edgeedge with one O(2)Li3Cr2Co octahedra,  an edgeedge with one O(10)Li2Cr2Co square pyramid,  an edgeedge with one O(11)Li2Cr2Co square pyramid,  an edgeedge with one O(16)Li2Cr2Co square pyramid,  an edgeedge with one O(3)Li2Cr2Co square pyramid,  an edgeedge with one O(15)Li2Cr3 square pyramid, edges with two equivalent O(1)Li2Cr2Co square pyramids, edges with two equivalent O(6)Li2CrCo2 square pyramids, and edges with two equivalent O(9)Li2CrCo2 square pyramids. The corner-sharing octahedral tilt angles are 1°. In the thirteenth O site, O(13) is bonded to one Li(2), one Li(4), one Li(6), one Cr(2), one Cr(4), and one Cr(5) atom to form OLi3Cr3 octahedra that share  a cornercorner with one O(2)Li3Cr2Co octahedra,  a cornercorner with one O(1)Li2Cr2Co square pyramid, corners with two equivalent O(7)Li2Cr3 square pyramids, corners with two equivalent O(8)Li2Cr3 square pyramids, edges with two equivalent O(4)Li3Cr3 octahedra,  an edgeedge with one O(10)Li2Cr2Co square pyramid,  an edgeedge with one O(11)Li2Cr2Co square pyramid,  an edgeedge with one O(16)Li2Cr2Co square pyramid,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(7)Li2Cr3 square pyramid,  an edgeedge with one O(8)Li2Cr3 square pyramid, edges with two equivalent O(5)Li2Cr2Co square pyramids, and edges with two equivalent O(14)Li2Cr3 square pyramids. The corner-sharing octahedral tilt angles are 3°. In the fourteenth O site, O(14) is bonded to one Li(4), one Li(6), one Cr(2), one Cr(4), and one Cr(6) atom to form OLi2Cr3 square pyramids that share corners with two equivalent O(4)Li3Cr3 octahedra,  a cornercorner with one O(10)Li2Cr2Co square pyramid,  a cornercorner with one O(11)Li2Cr2Co square pyramid,  a cornercorner with one O(3)Li2Cr2Co square pyramid,  a cornercorner with one O(7)Li2Cr3 square pyramid, corners with three equivalent O(5)Li2Cr2Co square pyramids,  an edgeedge with one O(4)Li3Cr3 octahedra, edges with two equivalent O(13)Li3Cr3 octahedra,  an edgeedge with one O(16)Li2Cr2Co square pyramid,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(7)Li2Cr3 square pyramid, and edges with two equivalent O(8)Li2Cr3 square pyramids. The corner-sharing octahedral tilt angles range from 4-5°. In the fifteenth O site, O(15) is bonded to one Li(5), one Li(6), one Cr(1), one Cr(5), and one Cr(6) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(2)Li3Cr2Co octahedra, corners with two equivalent O(4)Li3Cr3 octahedra,  a cornercorner with one O(1)Li2Cr2Co square pyramid,  a cornercorner with one O(16)Li2Cr2Co square pyramid,  a cornercorner with one O(3)Li2Cr2Co square pyramid,  a cornercorner with one O(5)Li2Cr2Co square pyramid,  a cornercorner with one O(8)Li2Cr3 square pyramid,  a cornercorner with one O(9)Li2CrCo2 square pyramid,  an edgeedge with one O(12)Li3Cr2Co octahedra,  an edgeedge with one O(13)Li3Cr3 octahedra,  an edgeedge with one O(4)Li3Cr3 octahedra,  an edgeedge with one O(1)Li2Cr2Co square pyramid,  an edgeedge with one O(16)Li2Cr2Co square pyramid,  an edgeedge with one O(3)Li2Cr2Co square pyramid,  an edgeedge with one O(14)Li2Cr3 square pyramid, and  an edgeedge with one O(8)Li2Cr3 square pyramid. The corner-sharing octahedral tilt angles range from 2-3°. In the sixteenth O site, O(16) is bonded to one Li(4), one Li(5), one Cr(5), one Cr(6), and one Co(2) atom to form OLi2Cr2Co square pyramids that share  a cornercorner with one O(1)Li2Cr2Co square pyramid,  a cornercorner with one O(3)Li2Cr2Co square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid,  a cornercorner with one O(7)Li2Cr3 square pyramid,  a cornercorner with one O(6)Li2CrCo2 square pyramid,  a cornercorner with one O(9)Li2CrCo2 square pyramid, corners with three equivalent O(8)Li2Cr3 square pyramids,  an edgeedge with one O(12)Li3Cr2Co octahedra,  an edgeedge with one O(13)Li3Cr3 octahedra, edges with two equivalent O(4)Li3Cr3 octahedra,  an edgeedge with one O(1)Li2Cr2Co square pyramid,  an edgeedge with one O(3)Li2Cr2Co square pyramid,  an edgeedge with one O(14)Li2Cr3 square pyramid, and  an edgeedge with one O(15)Li2Cr3 square pyramid. is represented by the CIF card [CIF]
data_Li3Cr3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.090
_cell_length_b   5.860
_cell_length_c   10.564
_cell_angle_alpha   73.794
_cell_angle_beta   76.306
_cell_angle_gamma   73.428
_symmetry_Int_Tables_number   1
_cell_volume   285.777
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  1.000  0.129  0.250  1.0
  Li  Li1  1  0.002  0.258  0.497  1.0
  Li  Li2  1  0.001  0.621  0.252  1.0
  Li  Li3  1  0.006  0.864  0.747  1.0
  Li  Li4  1  0.996  0.999  0.001  1.0
  Li  Li5  1  0.997  0.385  0.754  1.0
  Cr  Cr6  1  0.500  0.315  0.126  1.0
  Cr  Cr7  1  0.508  0.062  0.622  1.0
  Cr  Cr8  1  0.501  0.935  0.374  1.0
  Cr  Cr9  1  0.504  0.562  0.621  1.0
  Cr  Cr10  1  0.490  0.190  0.877  1.0
  Cr  Cr11  1  0.497  0.686  0.878  1.0
  Co  Co12  1  0.492  0.440  0.374  1.0
  Co  Co13  1  0.507  0.810  0.126  1.0
  O  O14  1  0.285  0.129  0.068  1.0
  O  O15  1  0.273  0.277  0.312  1.0
  O  O16  1  0.287  0.661  0.067  1.0
  O  O17  1  0.273  0.028  0.806  1.0
  O  O18  1  0.289  0.386  0.560  1.0
  O  O19  1  0.291  0.772  0.300  1.0
  O  O20  1  0.289  0.907  0.562  1.0
  O  O21  1  0.278  0.529  0.804  1.0
  O  O22  1  0.709  0.483  0.197  1.0
  O  O23  1  0.713  0.114  0.438  1.0
  O  O24  1  0.714  0.591  0.434  1.0
  O  O25  1  0.726  0.969  0.187  1.0
  O  O26  1  0.729  0.219  0.689  1.0
  O  O27  1  0.720  0.730  0.692  1.0
  O  O28  1  0.716  0.346  0.940  1.0
  O  O29  1  0.711  0.854  0.946  1.0
[/CIF]
.
The compound described by Li3Cr3CoO8 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(6), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(5)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the second Li site, Li(2) is bonded to one O(10), one O(11), one O(13), one O(2), one O(5), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(5)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the third Li site, Li(3) is bonded to one O(11), one O(12), one O(2), one O(3), one O(6), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Cr(6)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, edges with two equivalent Li(1)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 5-12°. In the fourth Li site, Li(4) is bonded to one O(13), one O(14), one O(16), one O(4), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, corners with two equivalent Cr(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the fifth Li site, Li(5) is bonded to one O(1), one O(12), one O(15), one O(16), one O(3), and one O(4) atom to form LiO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, edges with two equivalent Cr(5)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the sixth Li site, Li(6) is bonded to one O(13), one O(14), one O(15), one O(4), one O(5), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. There are six inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(12), one O(15), one O(2), one O(3), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the second Cr site, Cr(2) is bonded to one O(10), one O(13), one O(14), one O(4), one O(5), and one O(7) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the third Cr site, Cr(3) is bonded to one O(10), one O(11), one O(12), one O(2), one O(6), and one O(7) atom to form CrO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the fourth Cr site, Cr(4) is bonded to one O(11), one O(13), one O(14), one O(5), one O(7), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the fifth Cr site, Cr(5) is bonded to one O(1), one O(13), one O(15), one O(16), one O(4), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the sixth Cr site, Cr(6) is bonded to one O(14), one O(15), one O(16), one O(3), one O(4), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(11), one O(2), one O(5), one O(6), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the second Co site, Co(2) is bonded to one O(1), one O(12), one O(16), one O(3), one O(6), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(5)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(5), one Cr(1), one Cr(5), and one Co(2) atom to form OLi2Cr2Co square pyramids that share  a cornercorner with one O(13)Li3Cr3 octahedra,  a cornercorner with one O(10)Li2Cr2Co square pyramid,  a cornercorner with one O(16)Li2Cr2Co square pyramid,  a cornercorner with one O(3)Li2Cr2Co square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid,  a cornercorner with one O(8)Li2Cr3 square pyramid, corners with three equivalent O(9)Li2CrCo2 square pyramids,  an edgeedge with one O(2)Li3Cr2Co octahedra,  an edgeedge with one O(4)Li3Cr3 octahedra, edges with two equivalent O(12)Li3Cr2Co octahedra,  an edgeedge with one O(16)Li2Cr2Co square pyramid,  an edgeedge with one O(3)Li2Cr2Co square pyramid,  an edgeedge with one O(15)Li2Cr3 square pyramid, and  an edgeedge with one O(6)Li2CrCo2 square pyramid. The corner-sharing octahedral tilt angles are 6°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Cr(1), one Cr(3), and one Co(1) atom to form OLi3Cr2Co octahedra that share  a cornercorner with one O(13)Li3Cr3 octahedra, corners with two equivalent O(12)Li3Cr2Co octahedra,  a cornercorner with one O(15)Li2Cr3 square pyramid, corners with two equivalent O(11)Li2Cr2Co square pyramids,  an edgeedge with one O(12)Li3Cr2Co octahedra,  an edgeedge with one O(1)Li2Cr2Co square pyramid,  an edgeedge with one O(11)Li2Cr2Co square pyramid,  an edgeedge with one O(3)Li2Cr2Co square pyramid,  an edgeedge with one O(5)Li2Cr2Co square pyramid,  an edgeedge with one O(7)Li2Cr3 square pyramid, edges with two equivalent O(10)Li2Cr2Co square pyramids, edges with two equivalent O(6)Li2CrCo2 square pyramids, and edges with two equivalent O(9)Li2CrCo2 square pyramids. The corner-sharing octahedral tilt angles range from 1-3°. In the third O site, O(3) is bonded to one Li(3), one Li(5), one Cr(1), one Cr(6), and one Co(2) atom to form OLi2Cr2Co square pyramids that share corners with two equivalent O(12)Li3Cr2Co octahedra,  a cornercorner with one O(1)Li2Cr2Co square pyramid,  a cornercorner with one O(11)Li2Cr2Co square pyramid,  a cornercorner with one O(16)Li2Cr2Co square pyramid,  a cornercorner with one O(14)Li2Cr3 square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid,  a cornercorner with one O(8)Li2Cr3 square pyramid,  a cornercorner with one O(9)Li2CrCo2 square pyramid,  an edgeedge with one O(12)Li3Cr2Co octahedra,  an edgeedge with one O(2)Li3Cr2Co octahedra,  an edgeedge with one O(4)Li3Cr3 octahedra,  an edgeedge with one O(1)Li2Cr2Co square pyramid,  an edgeedge with one O(16)Li2Cr2Co square pyramid,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(6)Li2CrCo2 square pyramid, and  an edgeedge with one O(9)Li2CrCo2 square pyramid. The corner-sharing octahedral tilt angles range from 1-2°. In the fourth O site, O(4) is bonded to one Li(4), one Li(5), one Li(6), one Cr(2), one Cr(5), and one Cr(6) atom to form OLi3Cr3 octahedra that share  a cornercorner with one O(12)Li3Cr2Co octahedra,  a cornercorner with one O(10)Li2Cr2Co square pyramid, corners with two equivalent O(14)Li2Cr3 square pyramids, corners with two equivalent O(15)Li2Cr3 square pyramids, edges with two equivalent O(13)Li3Cr3 octahedra,  an edgeedge with one O(1)Li2Cr2Co square pyramid,  an edgeedge with one O(3)Li2Cr2Co square pyramid,  an edgeedge with one O(5)Li2Cr2Co square pyramid,  an edgeedge with one O(14)Li2Cr3 square pyramid,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(7)Li2Cr3 square pyramid, edges with two equivalent O(16)Li2Cr2Co square pyramids, and edges with two equivalent O(8)Li2Cr3 square pyramids. The corner-sharing octahedral tilt angles are 1°. In the fifth O site, O(5) is bonded to one Li(2), one Li(6), one Cr(2), one Cr(4), and one Co(1) atom to form OLi2Cr2Co square pyramids that share  a cornercorner with one O(10)Li2Cr2Co square pyramid,  a cornercorner with one O(11)Li2Cr2Co square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid,  a cornercorner with one O(7)Li2Cr3 square pyramid,  a cornercorner with one O(6)Li2CrCo2 square pyramid,  a cornercorner with one O(9)Li2CrCo2 square pyramid, corners with three equivalent O(14)Li2Cr3 square pyramids,  an edgeedge with one O(2)Li3Cr2Co octahedra,  an edgeedge with one O(4)Li3Cr3 octahedra, edges with two equivalent O(13)Li3Cr3 octahedra,  an edgeedge with one O(10)Li2Cr2Co square pyramid,  an edgeedge with one O(11)Li2Cr2Co square pyramid,  an edgeedge with one O(7)Li2Cr3 square pyramid, and  an edgeedge with one O(8)Li2Cr3 square pyramid. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Cr(3), one Co(1), and one Co(2) atom to form OLi2CrCo2 square pyramids that share  a cornercorner with one O(11)Li2Cr2Co square pyramid,  a cornercorner with one O(16)Li2Cr2Co square pyramid,  a cornercorner with one O(5)Li2Cr2Co square pyramid,  a cornercorner with one O(7)Li2Cr3 square pyramid, corners with two equivalent O(9)Li2CrCo2 square pyramids, corners with three equivalent O(10)Li2Cr2Co square pyramids, edges with two equivalent O(12)Li3Cr2Co octahedra, edges with two equivalent O(2)Li3Cr2Co octahedra,  an edgeedge with one O(1)Li2Cr2Co square pyramid,  an edgeedge with one O(11)Li2Cr2Co square pyramid,  an edgeedge with one O(3)Li2Cr2Co square pyramid, and  an edgeedge with one O(9)Li2CrCo2 square pyramid. In the seventh O site, O(7) is bonded to one Li(2), one Li(4), one Cr(2), one Cr(3), and one Cr(4) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(12)Li3Cr2Co octahedra, corners with two equivalent O(13)Li3Cr3 octahedra,  a cornercorner with one O(10)Li2Cr2Co square pyramid,  a cornercorner with one O(11)Li2Cr2Co square pyramid,  a cornercorner with one O(16)Li2Cr2Co square pyramid,  a cornercorner with one O(5)Li2Cr2Co square pyramid,  a cornercorner with one O(14)Li2Cr3 square pyramid,  a cornercorner with one O(6)Li2CrCo2 square pyramid,  an edgeedge with one O(2)Li3Cr2Co octahedra,  an edgeedge with one O(13)Li3Cr3 octahedra,  an edgeedge with one O(4)Li3Cr3 octahedra,  an edgeedge with one O(10)Li2Cr2Co square pyramid,  an edgeedge with one O(11)Li2Cr2Co square pyramid,  an edgeedge with one O(5)Li2Cr2Co square pyramid,  an edgeedge with one O(14)Li2Cr3 square pyramid, and  an edgeedge with one O(8)Li2Cr3 square pyramid. The corner-sharing octahedral tilt angles range from 1-3°. In the eighth O site, O(8) is bonded to one Li(4), one Li(6), one Cr(4), one Cr(5), and one Cr(6) atom to form OLi2Cr3 square pyramids that share corners with two equivalent O(13)Li3Cr3 octahedra,  a cornercorner with one O(1)Li2Cr2Co square pyramid,  a cornercorner with one O(11)Li2Cr2Co square pyramid,  a cornercorner with one O(3)Li2Cr2Co square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid, corners with three equivalent O(16)Li2Cr2Co square pyramids,  an edgeedge with one O(13)Li3Cr3 octahedra, edges with two equivalent O(4)Li3Cr3 octahedra,  an edgeedge with one O(5)Li2Cr2Co square pyramid,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(7)Li2Cr3 square pyramid, and edges with two equivalent O(14)Li2Cr3 square pyramids. The corner-sharing octahedral tilt angles range from 2-5°. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Cr(1), one Co(1), and one Co(2) atom to form OLi2CrCo2 square pyramids that share  a cornercorner with one O(16)Li2Cr2Co square pyramid,  a cornercorner with one O(3)Li2Cr2Co square pyramid,  a cornercorner with one O(5)Li2Cr2Co square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid, corners with two equivalent O(6)Li2CrCo2 square pyramids, corners with three equivalent O(1)Li2Cr2Co square pyramids, edges with two equivalent O(12)Li3Cr2Co octahedra, edges with two equivalent O(2)Li3Cr2Co octahedra,  an edgeedge with one O(10)Li2Cr2Co square pyramid,  an edgeedge with one O(11)Li2Cr2Co square pyramid,  an edgeedge with one O(3)Li2Cr2Co square pyramid, and  an edgeedge with one O(6)Li2CrCo2 square pyramid. In the tenth O site, O(10) is bonded to one Li(1), one Li(2), one Cr(2), one Cr(3), and one Co(1) atom to form OLi2Cr2Co square pyramids that share  a cornercorner with one O(4)Li3Cr3 octahedra,  a cornercorner with one O(1)Li2Cr2Co square pyramid,  a cornercorner with one O(11)Li2Cr2Co square pyramid,  a cornercorner with one O(5)Li2Cr2Co square pyramid,  a cornercorner with one O(14)Li2Cr3 square pyramid,  a cornercorner with one O(7)Li2Cr3 square pyramid, corners with three equivalent O(6)Li2CrCo2 square pyramids,  an edgeedge with one O(12)Li3Cr2Co octahedra,  an edgeedge with one O(13)Li3Cr3 octahedra, edges with two equivalent O(2)Li3Cr2Co octahedra,  an edgeedge with one O(11)Li2Cr2Co square pyramid,  an edgeedge with one O(5)Li2Cr2Co square pyramid,  an edgeedge with one O(7)Li2Cr3 square pyramid, and  an edgeedge with one O(9)Li2CrCo2 square pyramid. The corner-sharing octahedral tilt angles are 5°. In the eleventh O site, O(11) is bonded to one Li(2), one Li(3), one Cr(3), one Cr(4), and one Co(1) atom to form OLi2Cr2Co square pyramids that share corners with two equivalent O(2)Li3Cr2Co octahedra,  a cornercorner with one O(10)Li2Cr2Co square pyramid,  a cornercorner with one O(3)Li2Cr2Co square pyramid,  a cornercorner with one O(5)Li2Cr2Co square pyramid,  a cornercorner with one O(14)Li2Cr3 square pyramid,  a cornercorner with one O(7)Li2Cr3 square pyramid,  a cornercorner with one O(8)Li2Cr3 square pyramid,  a cornercorner with one O(6)Li2CrCo2 square pyramid,  an edgeedge with one O(12)Li3Cr2Co octahedra,  an edgeedge with one O(2)Li3Cr2Co octahedra,  an edgeedge with one O(13)Li3Cr3 octahedra,  an edgeedge with one O(10)Li2Cr2Co square pyramid,  an edgeedge with one O(5)Li2Cr2Co square pyramid,  an edgeedge with one O(7)Li2Cr3 square pyramid,  an edgeedge with one O(6)Li2CrCo2 square pyramid, and  an edgeedge with one O(9)Li2CrCo2 square pyramid. The corner-sharing octahedral tilt angles range from 2-3°. In the twelfth O site, O(12) is bonded to one Li(1), one Li(3), one Li(5), one Cr(1), one Cr(3), and one Co(2) atom to form OLi3Cr2Co octahedra that share  a cornercorner with one O(4)Li3Cr3 octahedra, corners with two equivalent O(2)Li3Cr2Co octahedra,  a cornercorner with one O(7)Li2Cr3 square pyramid, corners with two equivalent O(3)Li2Cr2Co square pyramids,  an edgeedge with one O(2)Li3Cr2Co octahedra,  an edgeedge with one O(10)Li2Cr2Co square pyramid,  an edgeedge with one O(11)Li2Cr2Co square pyramid,  an edgeedge with one O(16)Li2Cr2Co square pyramid,  an edgeedge with one O(3)Li2Cr2Co square pyramid,  an edgeedge with one O(15)Li2Cr3 square pyramid, edges with two equivalent O(1)Li2Cr2Co square pyramids, edges with two equivalent O(6)Li2CrCo2 square pyramids, and edges with two equivalent O(9)Li2CrCo2 square pyramids. The corner-sharing octahedral tilt angles are 1°. In the thirteenth O site, O(13) is bonded to one Li(2), one Li(4), one Li(6), one Cr(2), one Cr(4), and one Cr(5) atom to form OLi3Cr3 octahedra that share  a cornercorner with one O(2)Li3Cr2Co octahedra,  a cornercorner with one O(1)Li2Cr2Co square pyramid, corners with two equivalent O(7)Li2Cr3 square pyramids, corners with two equivalent O(8)Li2Cr3 square pyramids, edges with two equivalent O(4)Li3Cr3 octahedra,  an edgeedge with one O(10)Li2Cr2Co square pyramid,  an edgeedge with one O(11)Li2Cr2Co square pyramid,  an edgeedge with one O(16)Li2Cr2Co square pyramid,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(7)Li2Cr3 square pyramid,  an edgeedge with one O(8)Li2Cr3 square pyramid, edges with two equivalent O(5)Li2Cr2Co square pyramids, and edges with two equivalent O(14)Li2Cr3 square pyramids. The corner-sharing octahedral tilt angles are 3°. In the fourteenth O site, O(14) is bonded to one Li(4), one Li(6), one Cr(2), one Cr(4), and one Cr(6) atom to form OLi2Cr3 square pyramids that share corners with two equivalent O(4)Li3Cr3 octahedra,  a cornercorner with one O(10)Li2Cr2Co square pyramid,  a cornercorner with one O(11)Li2Cr2Co square pyramid,  a cornercorner with one O(3)Li2Cr2Co square pyramid,  a cornercorner with one O(7)Li2Cr3 square pyramid, corners with three equivalent O(5)Li2Cr2Co square pyramids,  an edgeedge with one O(4)Li3Cr3 octahedra, edges with two equivalent O(13)Li3Cr3 octahedra,  an edgeedge with one O(16)Li2Cr2Co square pyramid,  an edgeedge with one O(15)Li2Cr3 square pyramid,  an edgeedge with one O(7)Li2Cr3 square pyramid, and edges with two equivalent O(8)Li2Cr3 square pyramids. The corner-sharing octahedral tilt angles range from 4-5°. In the fifteenth O site, O(15) is bonded to one Li(5), one Li(6), one Cr(1), one Cr(5), and one Cr(6) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(2)Li3Cr2Co octahedra, corners with two equivalent O(4)Li3Cr3 octahedra,  a cornercorner with one O(1)Li2Cr2Co square pyramid,  a cornercorner with one O(16)Li2Cr2Co square pyramid,  a cornercorner with one O(3)Li2Cr2Co square pyramid,  a cornercorner with one O(5)Li2Cr2Co square pyramid,  a cornercorner with one O(8)Li2Cr3 square pyramid,  a cornercorner with one O(9)Li2CrCo2 square pyramid,  an edgeedge with one O(12)Li3Cr2Co octahedra,  an edgeedge with one O(13)Li3Cr3 octahedra,  an edgeedge with one O(4)Li3Cr3 octahedra,  an edgeedge with one O(1)Li2Cr2Co square pyramid,  an edgeedge with one O(16)Li2Cr2Co square pyramid,  an edgeedge with one O(3)Li2Cr2Co square pyramid,  an edgeedge with one O(14)Li2Cr3 square pyramid, and  an edgeedge with one O(8)Li2Cr3 square pyramid. The corner-sharing octahedral tilt angles range from 2-3°. In the sixteenth O site, O(16) is bonded to one Li(4), one Li(5), one Cr(5), one Cr(6), and one Co(2) atom to form OLi2Cr2Co square pyramids that share  a cornercorner with one O(1)Li2Cr2Co square pyramid,  a cornercorner with one O(3)Li2Cr2Co square pyramid,  a cornercorner with one O(15)Li2Cr3 square pyramid,  a cornercorner with one O(7)Li2Cr3 square pyramid,  a cornercorner with one O(6)Li2CrCo2 square pyramid,  a cornercorner with one O(9)Li2CrCo2 square pyramid, corners with three equivalent O(8)Li2Cr3 square pyramids,  an edgeedge with one O(12)Li3Cr2Co octahedra,  an edgeedge with one O(13)Li3Cr3 octahedra, edges with two equivalent O(4)Li3Cr3 octahedra,  an edgeedge with one O(1)Li2Cr2Co square pyramid,  an edgeedge with one O(3)Li2Cr2Co square pyramid,  an edgeedge with one O(14)Li2Cr3 square pyramid, and  an edgeedge with one O(15)Li2Cr3 square pyramid. is represented by the CIF card [CIF]
data_Li3Cr3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.090
_cell_length_b   5.860
_cell_length_c   10.564
_cell_angle_alpha   73.794
_cell_angle_beta   76.306
_cell_angle_gamma   73.428
_symmetry_Int_Tables_number   1
_cell_volume   285.777
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  1.000  0.129  0.250  1.0
  Li  Li1  1  0.002  0.258  0.497  1.0
  Li  Li2  1  0.001  0.621  0.252  1.0
  Li  Li3  1  0.006  0.864  0.747  1.0
  Li  Li4  1  0.996  0.999  0.001  1.0
  Li  Li5  1  0.997  0.385  0.754  1.0
  Cr  Cr6  1  0.500  0.315  0.126  1.0
  Cr  Cr7  1  0.508  0.062  0.622  1.0
  Cr  Cr8  1  0.501  0.935  0.374  1.0
  Cr  Cr9  1  0.504  0.562  0.621  1.0
  Cr  Cr10  1  0.490  0.190  0.877  1.0
  Cr  Cr11  1  0.497  0.686  0.878  1.0
  Co  Co12  1  0.492  0.440  0.374  1.0
  Co  Co13  1  0.507  0.810  0.126  1.0
  O  O14  1  0.285  0.129  0.068  1.0
  O  O15  1  0.273  0.277  0.312  1.0
  O  O16  1  0.287  0.661  0.067  1.0
  O  O17  1  0.273  0.028  0.806  1.0
  O  O18  1  0.289  0.386  0.560  1.0
  O  O19  1  0.291  0.772  0.300  1.0
  O  O20  1  0.289  0.907  0.562  1.0
  O  O21  1  0.278  0.529  0.804  1.0
  O  O22  1  0.709  0.483  0.197  1.0
  O  O23  1  0.713  0.114  0.438  1.0
  O  O24  1  0.714  0.591  0.434  1.0
  O  O25  1  0.726  0.969  0.187  1.0
  O  O26  1  0.729  0.219  0.689  1.0
  O  O27  1  0.720  0.730  0.692  1.0
  O  O28  1  0.716  0.346  0.940  1.0
  O  O29  1  0.711  0.854  0.946  1.0
[/CIF]
.