Na6Mg(CoO3)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Co(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(3), two equivalent Na(1), two equivalent Na(2), one Mg(1), and one Co(1) atom to form a mixture of distorted corner and edge-sharing ONa5MgCo pentagonal bipyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(3), one Mg(1), and one Co(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(1), one Na(3), two equivalent Na(2), and two equivalent Co(1) atoms.
Na6Mg(CoO3)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. The Na(1)-O(2) bond length is 2.29 Å. The Na(1)-O(3) bond length is 2.77 Å. There is one shorter (2.39 Å) and one longer (2.40 Å) Na(1)-O(1) bond length. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. There is one shorter (2.49 Å) and one longer (2.60 Å) Na(2)-O(1) bond length. There is one shorter (2.33 Å) and one longer (2.45 Å) Na(2)-O(3) bond length. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. The Na(3)-O(1) bond length is 2.42 Å. The Na(3)-O(3) bond length is 2.23 Å. There is one shorter (2.20 Å) and one longer (2.48 Å) Na(3)-O(2) bond length. Mg(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Mg(1)-O(1) bond lengths are 2.14 Å. Both Mg(1)-O(2) bond lengths are 1.98 Å. Co(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(3) atoms. The Co(1)-O(1) bond length is 2.05 Å. The Co(1)-O(2) bond length is 1.97 Å. There is one shorter (1.99 Å) and one longer (2.04 Å) Co(1)-O(3) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(3), two equivalent Na(1), two equivalent Na(2), one Mg(1), and one Co(1) atom to form a mixture of distorted corner and edge-sharing ONa5MgCo pentagonal bipyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(3), one Mg(1), and one Co(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(1), one Na(3), two equivalent Na(2), and two equivalent Co(1) atoms.