Materials Data on Mo3Pt2N by Materials Project

Abstract

Pt2Mo3N crystallizes in the cubic P4_132 space group. The structure is three-dimensional. Mo+2.33+ is bonded in a bent 150 degrees geometry to six equivalent Pt2- and two equivalent N3- atoms. There are a spread of Mo–Pt bond distances ranging from 2.76–2.93 Å. Both Mo–N bond lengths are 2.17 Å. Pt2- is bonded to nine equivalent Mo+2.33+ and three equivalent Pt2- atoms to form PtMo9Pt3 cuboctahedra that share corners with fifteen equivalent PtMo9Pt3 cuboctahedra, edges with three equivalent NMo6 octahedra, faces with ten equivalent PtMo9Pt3 cuboctahedra, and faces with four equivalent NMo6 octahedra. All Pt–Pt bond lengths are 2.61 Å. N3- is bonded to six equivalent Mo+2.33+ atoms to form distorted NMo6 octahedra that share corners with six equivalent NMo6 octahedra, edges with six equivalent PtMo9Pt3 cuboctahedra, and faces with eight equivalent PtMo9Pt3 cuboctahedra. The corner-sharing octahedral tilt angles are 26°.