Li4NbCo3O8 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)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,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the third Li site, Li(3) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. In the fourth Li site, Li(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Co(4)O6 octahedra, corners with four equivalent Co(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the fifth Li site, Li(5) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent Co(3)O6 octahedra, corners with four equivalent Co(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the sixth Li site, Li(6) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with six equivalent Co(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)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,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. Nb(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form NbO6 octahedra that share corners with six equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)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,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the fourth Co site, Co(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms to form CoO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the fifth Co site, Co(5) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share corners with six equivalent Li(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)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,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Li(6), one Co(1), one Co(3), and one Co(5) atom to form OLi3Co3 octahedra that share corners with two equivalent O(2)Li3Co3 octahedra, corners with four equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(3)Li3NbCo2 octahedra, edges with two equivalent O(4)Li3NbCo2 octahedra, edges with two equivalent O(5)Li3NbCo2 octahedra, edges with two equivalent O(6)Li3NbCo2 octahedra, and edges with four equivalent O(8)Li3NbCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to one Li(3), one Li(5), one Li(6), one Co(2), one Co(4), and one Co(5) atom to form OLi3Co3 octahedra that share corners with two equivalent O(1)Li3Co3 octahedra, corners with four equivalent O(2)Li3Co3 octahedra, edges with two equivalent O(3)Li3NbCo2 octahedra, edges with two equivalent O(4)Li3NbCo2 octahedra, edges with two equivalent O(5)Li3NbCo2 octahedra, edges with two equivalent O(6)Li3NbCo2 octahedra, and edges with four equivalent O(7)Li3NbCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) is bonded to one Li(1), one Li(4), one Li(6), one Nb(1), one Co(4), and one Co(5) atom to form OLi3NbCo2 octahedra that share corners with two equivalent O(3)Li3NbCo2 octahedra, corners with four equivalent O(4)Li3NbCo2 octahedra, edges with two equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(2)Li3Co3 octahedra, edges with two equivalent O(5)Li3NbCo2 octahedra, edges with two equivalent O(6)Li3NbCo2 octahedra, edges with two equivalent O(7)Li3NbCo2 octahedra, and edges with two equivalent O(8)Li3NbCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(1), one Li(5), one Li(6), one Nb(1), one Co(3), and one Co(5) atom to form OLi3NbCo2 octahedra that share corners with two equivalent O(4)Li3NbCo2 octahedra, corners with four equivalent O(3)Li3NbCo2 octahedra, edges with two equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(2)Li3Co3 octahedra, edges with two equivalent O(5)Li3NbCo2 octahedra, edges with two equivalent O(6)Li3NbCo2 octahedra, edges with two equivalent O(7)Li3NbCo2 octahedra, and edges with two equivalent O(8)Li3NbCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(6), one Nb(1), one Co(2), and one Co(5) atom to form OLi3NbCo2 octahedra that share corners with two equivalent O(5)Li3NbCo2 octahedra, corners with four equivalent O(6)Li3NbCo2 octahedra, edges with two equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(2)Li3Co3 octahedra, edges with two equivalent O(3)Li3NbCo2 octahedra, edges with two equivalent O(4)Li3NbCo2 octahedra, edges with two equivalent O(7)Li3NbCo2 octahedra, and edges with two equivalent O(8)Li3NbCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Li(6), one Nb(1), one Co(1), and one Co(5) atom to form OLi3NbCo2 octahedra that share corners with two equivalent O(6)Li3NbCo2 octahedra, corners with four equivalent O(5)Li3NbCo2 octahedra, edges with two equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(2)Li3Co3 octahedra, edges with two equivalent O(3)Li3NbCo2 octahedra, edges with two equivalent O(4)Li3NbCo2 octahedra, edges with two equivalent O(7)Li3NbCo2 octahedra, and edges with two equivalent O(8)Li3NbCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Li(5), one Nb(1), one Co(2), and one Co(4) atom to form OLi3NbCo2 octahedra that share corners with two equivalent O(8)Li3NbCo2 octahedra, corners with four equivalent O(7)Li3NbCo2 octahedra, edges with two equivalent O(3)Li3NbCo2 octahedra, edges with two equivalent O(4)Li3NbCo2 octahedra, edges with two equivalent O(5)Li3NbCo2 octahedra, edges with two equivalent O(6)Li3NbCo2 octahedra, and edges with four equivalent O(2)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Li(4), one Nb(1), one Co(1), and one Co(3) atom to form OLi3NbCo2 octahedra that share corners with two equivalent O(7)Li3NbCo2 octahedra, corners with four equivalent O(8)Li3NbCo2 octahedra, edges with two equivalent O(3)Li3NbCo2 octahedra, edges with two equivalent O(4)Li3NbCo2 octahedra, edges with two equivalent O(5)Li3NbCo2 octahedra, edges with two equivalent O(6)Li3NbCo2 octahedra, and edges with four equivalent O(1)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°.
Li4NbCo3O8 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)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,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. The Li(1)-O(3) bond length is 2.20 Å. The Li(1)-O(4) bond length is 2.20 Å. The Li(1)-O(5) bond length is 2.23 Å. The Li(1)-O(6) bond length is 2.24 Å. The Li(1)-O(7) bond length is 2.23 Å. The Li(1)-O(8) bond length is 2.24 Å. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. Both Li(2)-O(1) bond lengths are 2.36 Å. Both Li(2)-O(5) bond lengths are 2.14 Å. Both Li(2)-O(8) bond lengths are 2.11 Å. In the third Li site, Li(3) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. Both Li(3)-O(2) bond lengths are 2.32 Å. Both Li(3)-O(6) bond lengths are 2.12 Å. Both Li(3)-O(7) bond lengths are 2.15 Å. In the fourth Li site, Li(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Co(4)O6 octahedra, corners with four equivalent Co(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. Both Li(4)-O(1) bond lengths are 2.23 Å. Both Li(4)-O(3) bond lengths are 2.14 Å. Both Li(4)-O(8) bond lengths are 2.09 Å. In the fifth Li site, Li(5) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent Co(3)O6 octahedra, corners with four equivalent Co(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. Both Li(5)-O(2) bond lengths are 2.20 Å. Both Li(5)-O(4) bond lengths are 2.15 Å. Both Li(5)-O(7) bond lengths are 2.09 Å. In the sixth Li site, Li(6) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with six equivalent Co(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)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,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. The Li(6)-O(1) bond length is 2.24 Å. The Li(6)-O(2) bond length is 2.19 Å. The Li(6)-O(3) bond length is 2.15 Å. The Li(6)-O(4) bond length is 2.14 Å. The Li(6)-O(5) bond length is 2.09 Å. The Li(6)-O(6) bond length is 2.10 Å. Nb(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form NbO6 octahedra that share corners with six equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)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,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. The Nb(1)-O(3) bond length is 2.03 Å. The Nb(1)-O(4) bond length is 2.03 Å. The Nb(1)-O(5) bond length is 2.05 Å. The Nb(1)-O(6) bond length is 2.02 Å. The Nb(1)-O(7) bond length is 2.04 Å. The Nb(1)-O(8) bond length is 2.03 Å. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. Both Co(1)-O(1) bond lengths are 1.88 Å. Both Co(1)-O(6) bond lengths are 2.15 Å. Both Co(1)-O(8) bond lengths are 2.16 Å. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. Both Co(2)-O(2) bond lengths are 1.92 Å. Both Co(2)-O(5) bond lengths are 2.13 Å. Both Co(2)-O(7) bond lengths are 2.13 Å. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. Both Co(3)-O(1) bond lengths are 2.07 Å. Both Co(3)-O(4) bond lengths are 2.12 Å. Both Co(3)-O(8) bond lengths are 2.15 Å. In the fourth Co site, Co(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms to form CoO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. Both Co(4)-O(2) bond lengths are 2.09 Å. Both Co(4)-O(3) bond lengths are 2.13 Å. Both Co(4)-O(7) bond lengths are 2.14 Å. In the fifth Co site, Co(5) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share corners with six equivalent Li(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)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,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. The Co(5)-O(1) bond length is 2.08 Å. The Co(5)-O(2) bond length is 2.08 Å. The Co(5)-O(3) bond length is 2.12 Å. The Co(5)-O(4) bond length is 2.13 Å. The Co(5)-O(5) bond length is 2.13 Å. The Co(5)-O(6) bond length is 2.16 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Li(6), one Co(1), one Co(3), and one Co(5) atom to form OLi3Co3 octahedra that share corners with two equivalent O(2)Li3Co3 octahedra, corners with four equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(3)Li3NbCo2 octahedra, edges with two equivalent O(4)Li3NbCo2 octahedra, edges with two equivalent O(5)Li3NbCo2 octahedra, edges with two equivalent O(6)Li3NbCo2 octahedra, and edges with four equivalent O(8)Li3NbCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to one Li(3), one Li(5), one Li(6), one Co(2), one Co(4), and one Co(5) atom to form OLi3Co3 octahedra that share corners with two equivalent O(1)Li3Co3 octahedra, corners with four equivalent O(2)Li3Co3 octahedra, edges with two equivalent O(3)Li3NbCo2 octahedra, edges with two equivalent O(4)Li3NbCo2 octahedra, edges with two equivalent O(5)Li3NbCo2 octahedra, edges with two equivalent O(6)Li3NbCo2 octahedra, and edges with four equivalent O(7)Li3NbCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) is bonded to one Li(1), one Li(4), one Li(6), one Nb(1), one Co(4), and one Co(5) atom to form OLi3NbCo2 octahedra that share corners with two equivalent O(3)Li3NbCo2 octahedra, corners with four equivalent O(4)Li3NbCo2 octahedra, edges with two equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(2)Li3Co3 octahedra, edges with two equivalent O(5)Li3NbCo2 octahedra, edges with two equivalent O(6)Li3NbCo2 octahedra, edges with two equivalent O(7)Li3NbCo2 octahedra, and edges with two equivalent O(8)Li3NbCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(1), one Li(5), one Li(6), one Nb(1), one Co(3), and one Co(5) atom to form OLi3NbCo2 octahedra that share corners with two equivalent O(4)Li3NbCo2 octahedra, corners with four equivalent O(3)Li3NbCo2 octahedra, edges with two equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(2)Li3Co3 octahedra, edges with two equivalent O(5)Li3NbCo2 octahedra, edges with two equivalent O(6)Li3NbCo2 octahedra, edges with two equivalent O(7)Li3NbCo2 octahedra, and edges with two equivalent O(8)Li3NbCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(6), one Nb(1), one Co(2), and one Co(5) atom to form OLi3NbCo2 octahedra that share corners with two equivalent O(5)Li3NbCo2 octahedra, corners with four equivalent O(6)Li3NbCo2 octahedra, edges with two equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(2)Li3Co3 octahedra, edges with two equivalent O(3)Li3NbCo2 octahedra, edges with two equivalent O(4)Li3NbCo2 octahedra, edges with two equivalent O(7)Li3NbCo2 octahedra, and edges with two equivalent O(8)Li3NbCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Li(6), one Nb(1), one Co(1), and one Co(5) atom to form OLi3NbCo2 octahedra that share corners with two equivalent O(6)Li3NbCo2 octahedra, corners with four equivalent O(5)Li3NbCo2 octahedra, edges with two equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(2)Li3Co3 octahedra, edges with two equivalent O(3)Li3NbCo2 octahedra, edges with two equivalent O(4)Li3NbCo2 octahedra, edges with two equivalent O(7)Li3NbCo2 octahedra, and edges with two equivalent O(8)Li3NbCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Li(5), one Nb(1), one Co(2), and one Co(4) atom to form OLi3NbCo2 octahedra that share corners with two equivalent O(8)Li3NbCo2 octahedra, corners with four equivalent O(7)Li3NbCo2 octahedra, edges with two equivalent O(3)Li3NbCo2 octahedra, edges with two equivalent O(4)Li3NbCo2 octahedra, edges with two equivalent O(5)Li3NbCo2 octahedra, edges with two equivalent O(6)Li3NbCo2 octahedra, and edges with four equivalent O(2)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Li(4), one Nb(1), one Co(1), and one Co(3) atom to form OLi3NbCo2 octahedra that share corners with two equivalent O(7)Li3NbCo2 octahedra, corners with four equivalent O(8)Li3NbCo2 octahedra, edges with two equivalent O(3)Li3NbCo2 octahedra, edges with two equivalent O(4)Li3NbCo2 octahedra, edges with two equivalent O(5)Li3NbCo2 octahedra, edges with two equivalent O(6)Li3NbCo2 octahedra, and edges with four equivalent O(1)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°.