NaBeO2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to four equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing BeO4 trigonal pyramids. In the second Be site, Be(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form a mixture of corner and edge-sharing BeO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Na(1), two equivalent Na(2), and one Be(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Na(2), two equivalent Na(1), one Be(2), and two equivalent Be(1) atoms.
NaBeO2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. Both Na(1)-O(1) bond lengths are 2.45 Å. There are two shorter (2.42 Å) and two longer (2.61 Å) Na(1)-O(2) bond lengths. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Both Na(2)-O(2) bond lengths are 2.51 Å. There are two shorter (2.25 Å) and two longer (2.56 Å) Na(2)-O(1) bond lengths. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to four equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing BeO4 trigonal pyramids. There are two shorter (1.63 Å) and two longer (1.71 Å) Be(1)-O(2) bond lengths. In the second Be site, Be(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form a mixture of corner and edge-sharing BeO4 tetrahedra. Both Be(2)-O(1) bond lengths are 1.62 Å. Both Be(2)-O(2) bond lengths are 1.70 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Na(1), two equivalent Na(2), and one Be(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Na(2), two equivalent Na(1), one Be(2), and two equivalent Be(1) atoms.