Materials Data on BaP3Pt2 by Materials Project

Abstract

BaPt2P3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba2+ is bonded in a 1-coordinate geometry to one Pt2- atom. The Ba–Pt bond length is 3.39 Å. There are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a distorted square co-planar geometry to four P+0.67+ atoms. There are two shorter (2.34 Å) and two longer (2.38 Å) Pt–P bond lengths. In the second Pt2- site, Pt2- is bonded in a distorted octahedral geometry to two equivalent Ba2+ and four P+0.67+ atoms. There are two shorter (2.37 Å) and two longer (2.46 Å) Pt–P bond lengths. In the third Pt2- site, Pt2- is bonded in a 4-coordinate geometry to four P+0.67+ atoms. There are a spread of Pt–P bond distances ranging from 2.33–2.35 Å. There are three inequivalent P+0.67+ sites. In the first P+0.67+ site, P+0.67+ is bonded in a trigonal planar geometry to three Pt2- atoms. In the second P+0.67+ site, P+0.67+ is bonded in a bent 120 degrees geometry to two Pt2- atoms. In the third P+0.67+ site, P+0.67+ is bonded in a trigonal planar geometry to three Pt2- atoms.