Materials Data on Sr4Pt4PbO11 by Materials Project

Abstract

Sr4PbPt4O11 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to seven O2- atoms to form distorted SrO7 hexagonal pyramids that share corners with two equivalent SrO7 hexagonal pyramids, corners with two equivalent PtO5 square pyramids, edges with two equivalent SrO7 hexagonal pyramids, an edgeedge with one PtO5 square pyramid, and a faceface with one SrO7 hexagonal pyramid. There are a spread of Sr–O bond distances ranging from 2.56–2.73 Å. In the second Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–3.05 Å. In the third Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.97 Å. In the fourth Sr2+ site, Sr2+ is bonded to seven O2- atoms to form distorted SrO7 hexagonal pyramids that share corners with two equivalent SrO7 hexagonal pyramids, edges with two equivalent SrO7 hexagonal pyramids, an edgeedge with one PtO5 square pyramid, and a faceface with one SrO7 hexagonal pyramid. There are a spread of Sr–O bond distances ranging from 2.55–2.65 Å. There are four inequivalent Pt3+ sites. In the first Pt3+ site, Pt3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Pt–O bond distances ranging from 2.04–2.06 Å. In the second Pt3+ site, Pt3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.05 Å) and two longer (2.06 Å) Pt–O bond lengths. In the third Pt3+ site, Pt3+ is bonded to five O2- atoms to form PtO5 square pyramids that share corners with two equivalent PtO5 square pyramids and an edgeedge with one SrO7 hexagonal pyramid. There are one shorter (2.02 Å) and four longer (2.05 Å) Pt–O bond lengths. In the fourth Pt3+ site, Pt3+ is bonded to five O2- atoms to form PtO5 square pyramids that share corners with two equivalent SrO7 hexagonal pyramids, corners with two equivalent PtO5 square pyramids, and an edgeedge with one SrO7 hexagonal pyramid. There are a spread of Pt–O bond distances ranging from 2.02–2.07 Å. Pb2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are two shorter (2.26 Å) and one longer (2.28 Å) Pb–O bond lengths. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+ and two Pt3+ atoms. In the second O2- site, O2- is bonded to four Sr2+ and one Pb2+ atom to form a mixture of corner and edge-sharing OSr4Pb square pyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Pt3+, and one Pb2+ atom. In the fourth O2- site, O2- is bonded to three Sr2+ and two Pt3+ atoms to form distorted OSr3Pt2 trigonal bipyramids that share a cornercorner with one OSr4Pb square pyramid, corners with two equivalent OSr3Pt2 trigonal bipyramids, an edgeedge with one OSr4Pb square pyramid, edges with two OSr3Pt2 trigonal bipyramids, and a faceface with one OSr3Pt2 trigonal bipyramid. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+ and two Pt3+ atoms. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Pt3+, and one Pb2+ atom. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+ and two Pt3+ atoms. In the eighth O2- site, O2- is bonded to three Sr2+ and two Pt3+ atoms to form distorted OSr3Pt2 trigonal bipyramids that share a cornercorner with one OSr4Pb square pyramid, corners with two equivalent OSr3Pt2 trigonal bipyramids, an edgeedge with one OSr4Pb square pyramid, edges with two OSr3Pt2 trigonal bipyramids, and a faceface with one OSr3Pt2 trigonal bipyramid. In the ninth O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+ and two Pt3+ atoms. In the tenth O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+ and two Pt3+ atoms. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and two Pt3+ atoms.