Materials Data on NbPt4 by Materials Project

Abstract

NbPt4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nb4+ is bonded in a hexagonal planar geometry to six equivalent Pt1- atoms. All Nb–Pt bond lengths are 2.80 Å. There are two inequivalent Pt1- sites. In the first Pt1- site, Pt1- is bonded to three equivalent Nb4+ and three equivalent Pt1- atoms to form a mixture of distorted edge and corner-sharing PtNb3Pt3 cuboctahedra. All Pt–Pt bond lengths are 2.88 Å. In the second Pt1- site, Pt1- is bonded to twelve Pt1- atoms to form PtPt12 cuboctahedra that share corners with fifteen PtNb3Pt3 cuboctahedra, edges with twenty-one PtNb3Pt3 cuboctahedra, and faces with twelve equivalent PtPt12 cuboctahedra. There are six shorter (2.83 Å) and three longer (2.84 Å) Pt–Pt bond lengths.