Materials Data on PtCl3 by Materials Project

Abstract

PtCl3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded to six Cl atoms to form PtCl6 octahedra that share a cornercorner with one PtCl5 square pyramid and edges with two equivalent PtCl6 octahedra. There are a spread of Pt–Cl bond distances ranging from 2.31–2.46 Å. In the second Pt site, Pt is bonded to five Cl atoms to form PtCl5 square pyramids that share a cornercorner with one PtCl6 octahedra and corners with four equivalent PtCl5 square pyramids. The corner-sharing octahedral tilt angles are 3°. There are four shorter (2.33 Å) and one longer (2.95 Å) Pt–Cl bond lengths. There are six inequivalent Cl sites. In the first Cl site, Cl is bonded in an L-shaped geometry to two equivalent Pt atoms. In the second Cl site, Cl is bonded in a linear geometry to two Pt atoms. In the third Cl site, Cl is bonded in a single-bond geometry to one Pt atom. In the fourth Cl site, Cl is bonded in an L-shaped geometry to two equivalent Pt atoms. In the fifth Cl site, Cl is bonded in an L-shaped geometry to two equivalent Pt atoms. In the sixth Cl site, Cl is bonded in a water-like geometry to two equivalent Pt atoms.