Materials Data on Na2SO9 by Materials Project

Abstract

Na2SO9 crystallizes in the tetragonal P4_322 space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.37–2.47 Å. In the second Na site, Na is bonded in a 2-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.34–2.80 Å. S is bonded in a distorted see-saw-like geometry to four O atoms. There is two shorter (1.49 Å) and two longer (2.02 Å) S–O bond length. There are five 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 distorted water-like geometry to one Na and one O atom. The O–O bond length is 1.28 Å. In the third O site, O is bonded in a bent 120 degrees geometry to two equivalent S atoms. In the fourth O site, O is bonded in a 3-coordinate geometry to two Na and one O atom. In the fifth O site, O is bonded in a distorted L-shaped geometry to one Na and one O atom. The O–O bond length is 1.24 Å.