Materials Data on NaSO2 by Materials Project

NaSO2 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one NaSO2 sheet oriented in the (0, 1, 0) direction. Na is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Na–O bond distances ranging from 2.36–2.48 Å. S is bonded in a water-like geometry to two O atoms. There is one shorter (1.52 Å) and one longer (1.53 Å) S–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Na and one S atom. In the second O site, O is bonded in a rectangular see-saw-like geometry to three equivalent Na and one S atom.