Materials Data on Sr(P3Pt2)2 by Materials Project

Abstract

Sr(Pt2P3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sr2+ is bonded to six Pt2- atoms to form distorted corner-sharing SrPt6 pentagonal pyramids. There are a spread of Sr–Pt bond distances ranging from 2.85–3.06 Å. There are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to six P1+ atoms to form corner-sharing PtP6 octahedra. The corner-sharing octahedra tilt angles range from 62–66°. There are two shorter (2.42 Å) and four longer (2.43 Å) Pt–P bond lengths. In the second Pt2- site, Pt2- is bonded to two equivalent Sr2+ and four P1+ atoms to form PtSr2P4 octahedra that share corners with ten PtP6 octahedra and edges with four PtSr2P4 octahedra. The corner-sharing octahedra tilt angles range from 22–109°. There are a spread of Pt–P bond distances ranging from 2.38–2.44 Å. In the third Pt2- site, Pt2- is bonded to two equivalent Sr2+ and four P1+ atoms to form PtSr2P4 octahedra that share corners with ten PtP6 octahedra and edges with four equivalent PtSr2P4 octahedra. The corner-sharing octahedra tilt angles range from 32–82°. There are two shorter (2.37 Å) and two longer (2.43 Å) Pt–P bond lengths. There are three inequivalent P1+ sites. In the first P1+ site, P1+ is bonded in a trigonal non-coplanar geometry to three Pt2- atoms. In the second P1+ site, P1+ is bonded in a trigonal non-coplanar geometry to three Pt2- atoms. In the third P1+ site, P1+ is bonded in a trigonal non-coplanar geometry to three Pt2- atoms.