Materials Data on MoPt3 by Materials Project

Abstract

Pt3Mo1 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. Mo6+ is bonded in a distorted q6 geometry to ten Pt2- atoms. There are a spread of Mo–Pt bond distances ranging from 2.74–2.83 Å. There are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to four equivalent Mo6+ and eight Pt2- atoms to form a mixture of edge, corner, and face-sharing PtMo4Pt8 cuboctahedra. There are a spread of Pt–Pt bond distances ranging from 2.76–2.86 Å. In the second Pt2- site, Pt2- is bonded to four equivalent Mo6+ and eight Pt2- atoms to form a mixture of edge, corner, and face-sharing PtMo4Pt8 cuboctahedra. There are two shorter (2.79 Å) and four longer (2.83 Å) Pt–Pt bond lengths. In the third Pt2- site, Pt2- is bonded to two equivalent Mo6+ and ten Pt2- atoms to form a mixture of edge, corner, and face-sharing PtMo2Pt10 cuboctahedra. Both Pt–Pt bond lengths are 2.79 Å.