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 8-coordinate geometry to eight O atoms. There are a spread of Na–O bond distances ranging from 2.47–2.83 Å. In the second Na site, Na is bonded in a 12-coordinate geometry to ten O atoms. There are a spread of Na–O bond distances ranging from 2.57–3.00 Å. S is bonded to four O atoms to form corner-sharing SO4 tetrahedra. There is two shorter (1.43 Å) and two longer (1.78 Å) S–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Na and one S atom. In the second O site, O is bonded in a 2-coordinate geometry to two Na and one O atom. The O–O bond length is 1.31 Å. In the third O site, O is bonded to two equivalent Na and two equivalent S atoms to form distorted edge-sharing ONa2S2 tetrahedra. In the fourth O site, O is bonded in a 4-coordinate geometry to three Na and one O atom. In the fifth O site, O is bonded in a 3-coordinate geometry to two Na and one O atom. The O–O bond length is 1.26 Å.