Materials Data on Na2SO5 by Materials Project

Abstract

Na2SO5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a distorted hexagonal planar geometry to six O atoms. There are four shorter (2.34 Å) and two longer (2.46 Å) Na–O bond lengths. In the second Na site, Na is bonded in a 1-coordinate geometry to five O atoms. There are one shorter (2.36 Å) and four longer (2.47 Å) Na–O bond lengths. S is bonded in a distorted rectangular see-saw-like geometry to four equivalent O atoms. All S–O bond lengths are 1.67 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to three Na atoms. In the second O site, O is bonded in a 3-coordinate geometry to two Na and one S atom.