Materials Data on Sr8Si2PtO14 by Materials Project

Abstract

Sr8PtSi2O14 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.61–2.97 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–2.75 Å. In the third Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.45–3.16 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–2.64 Å. Pt4+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Pt–O bond distances ranging from 2.05–2.12 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. All Si–O bond lengths are 1.65 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one Si4+ atom. In the second O2- site, O2- is bonded to five Sr2+ and one Pt4+ atom to form a mixture of distorted corner, edge, and face-sharing OSr5Pt octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Sr2+ and one Si4+ atom. In the fourth O2- site, O2- is bonded to five Sr2+ and one Pt4+ atom to form a mixture of distorted corner, edge, and face-sharing OSr5Pt octahedra. The corner-sharing octahedra tilt angles range from 1–53°. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to five Sr2+ and one Si4+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one Si4+ atom. In the seventh O2- site, O2- is bonded to five Sr2+ and one Pt4+ atom to form a mixture of distorted corner, edge, and face-sharing OSr5Pt octahedra. The corner-sharing octahedra tilt angles range from 0–53°.