Materials Data on Ho2SiSO4 by Materials Project

Abstract

Ho2SiSO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to two equivalent S2- and six O2- atoms. Both Ho–S bond lengths are 2.84 Å. There are a spread of Ho–O bond distances ranging from 2.29–2.48 Å. In the second Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to two equivalent S2- and six O2- atoms. There are one shorter (2.69 Å) and one longer (2.78 Å) Ho–S bond lengths. There are a spread of Ho–O bond distances ranging from 2.40–2.51 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. All Si–O bond lengths are 1.64 Å. S2- is bonded in a 4-coordinate geometry to four Ho3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Ho3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Ho3+ and one Si4+ atom.