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 3-coordinate geometry to one O(3) and three equivalent O(2) atoms. In the third Na site, Na(3) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. Co(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(3), two equivalent Na(1), one Mg(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Na(1), one Na(3), three equivalent Na(2), 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(2), two equivalent Na(3), one Mg(1), and one Co(1) atom.
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 2.30 Å. The Na(1)-O(3) bond length is 2.79 Å. Both Na(1)-O(1) bond lengths are 2.38 Å. In the second Na site, Na(2) is bonded in a 3-coordinate geometry to one O(3) and three equivalent O(2) atoms. The Na(2)-O(3) bond length is 2.34 Å. There are a spread of Na(2)-O(2) bond distances ranging from 2.25-2.81 Å. In the third Na site, Na(3) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. The Na(3)-O(1) bond length is 2.47 Å. The Na(3)-O(2) bond length is 2.40 Å. Both Na(3)-O(3) bond lengths are 2.34 Å. Mg(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. Both Mg(1)-O(1) bond lengths are 2.05 Å. Both Mg(1)-O(3) bond lengths are 2.03 Å. Co(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The Co(1)-O(1) bond length is 1.85 Å. The Co(1)-O(2) bond length is 1.81 Å. The Co(1)-O(3) bond length is 1.96 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(3), two equivalent Na(1), one Mg(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Na(1), one Na(3), three equivalent Na(2), 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(2), two equivalent Na(3), one Mg(1), and one Co(1) atom.