Materials Data on Si(Sn3O4)2 by Materials Project

Abstract

Si(Sn3O4)2 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.09–2.52 Å. In the second Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.11–2.51 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.66 Å) and three longer (1.67 Å) Si–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Sn2+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Sn2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Sn2+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sn2+ and one Si4+ atom.