Materials Data on NaSr11(PtO6)3 by Materials Project

Abstract

NaSr11(PtO6)3 crystallizes in the trigonal P321 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. All Na–O bond lengths are 2.45 Å. There are seven inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.62–2.79 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.57–2.86 Å. In the third Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.60–2.80 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.61–2.77 Å. In the fifth Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Sr–O bond lengths are 2.48 Å. In the sixth Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.47 Å) and three longer (2.48 Å) Sr–O bond lengths. In the seventh Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Sr–O bond lengths are 2.47 Å. There are three inequivalent Pt+4.33+ sites. In the first Pt+4.33+ site, Pt+4.33+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.05 Å) and three longer (2.09 Å) Pt–O bond lengths. In the second Pt+4.33+ site, Pt+4.33+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.06 Å) and three longer (2.09 Å) Pt–O bond lengths. In the third Pt+4.33+ site, Pt+4.33+ is bonded in an octahedral geometry to six O2- atoms. All Pt–O bond lengths are 2.08 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to five Sr2+ and one Pt+4.33+ atom to form a mixture of distorted edge, corner, and face-sharing OSr5Pt octahedra. The corner-sharing octahedra tilt angles range from 0–65°. In the second O2- site, O2- is bonded to five Sr2+ and one Pt+4.33+ atom to form distorted OSr5Pt octahedra that share corners with fifteen OSr5Pt octahedra, edges with four OSr5Pt octahedra, and faces with five ONaSr4Pt octahedra. The corner-sharing octahedra tilt angles range from 0–65°. In the third O2- site, O2- is bonded to five Sr2+ and one Pt+4.33+ atom to form a mixture of distorted edge, corner, and face-sharing OSr5Pt octahedra. The corner-sharing octahedra tilt angles range from 0–63°. In the fourth O2- site, O2- is bonded to five Sr2+ and one Pt+4.33+ atom to form a mixture of distorted edge, corner, and face-sharing OSr5Pt octahedra. The corner-sharing octahedra tilt angles range from 1–64°. In the fifth O2- site, O2- is bonded to one Na1+, four Sr2+, and one Pt+4.33+ atom to form a mixture of distorted edge, corner, and face-sharing ONaSr4Pt octahedra. The corner-sharing octahedra tilt angles range from 0–63°. In the sixth O2- site, O2- is bonded to one Na1+, four Sr2+, and one Pt+4.33+ atom to form a mixture of distorted edge, corner, and face-sharing ONaSr4Pt octahedra. The corner-sharing octahedra tilt angles range from 1–63°.