Na(CoO2)3 is Ilmenite-like structured and crystallizes in the monoclinic P2/c space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing CoO6 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form edge-sharing CoO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Co(1), one Co(2), and one Co(3) atom to form a mixture of distorted edge and corner-sharing ONaCo3 trigonal pyramids. In the second O site, O(2) is bonded to one Na(1), one Co(1), and two equivalent Co(2) atoms to form a mixture of distorted edge and corner-sharing ONaCo3 trigonal pyramids. In the third O site, O(3) is bonded to one Na(1), one Co(1), and two equivalent Co(3) atoms to form a mixture of distorted edge and corner-sharing ONaCo3 trigonal pyramids.
Na(CoO2)3 is Ilmenite-like structured and crystallizes in the monoclinic P2/c space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both Na(1)-O(1) bond lengths are 2.41 Å. Both Na(1)-O(2) bond lengths are 2.40 Å. Both Na(1)-O(3) bond lengths are 2.40 Å. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing CoO6 octahedra. Both Co(1)-O(1) bond lengths are 1.88 Å. Both Co(1)-O(2) bond lengths are 1.87 Å. Both Co(1)-O(3) bond lengths are 1.87 Å. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing CoO6 octahedra. Both Co(2)-O(1) bond lengths are 1.87 Å. There are two shorter (1.87 Å) and two longer (1.88 Å) Co(2)-O(2) bond lengths. In the third Co site, Co(3) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form edge-sharing CoO6 octahedra. Both Co(3)-O(1) bond lengths are 1.88 Å. All Co(3)-O(3) bond lengths are 1.87 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Co(1), one Co(2), and one Co(3) atom to form a mixture of distorted edge and corner-sharing ONaCo3 trigonal pyramids. In the second O site, O(2) is bonded to one Na(1), one Co(1), and two equivalent Co(2) atoms to form a mixture of distorted edge and corner-sharing ONaCo3 trigonal pyramids. In the third O site, O(3) is bonded to one Na(1), one Co(1), and two equivalent Co(3) atoms to form a mixture of distorted edge and corner-sharing ONaCo3 trigonal pyramids.