Materials Data on FeSO8 by Materials Project

Abstract

FeSO6O2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four oxygen molecules and four FeSO6 clusters. In each FeSO6 cluster, Fe is bonded in a distorted trigonal planar geometry to four O atoms. There are a spread of Fe–O bond distances ranging from 1.62–2.55 Å. S is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.43 Å) and one longer (1.44 Å) S–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Fe atom. In the second O site, O is bonded in a single-bond geometry to one Fe atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Fe and one S atom. In the fourth O site, O is bonded in a single-bond geometry to one S atom. In the fifth O site, O is bonded in a single-bond geometry to one S atom. In the sixth O site, O is bonded in a single-bond geometry to one Fe atom.