Materials Data on MoPt2Br by Materials Project

Abstract

MoPt2Br crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mo5+ is bonded in a distorted body-centered cubic geometry to four equivalent Pt2- and four equivalent Br1- atoms. All Mo–Pt bond lengths are 2.79 Å. All Mo–Br bond lengths are 2.79 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 8-coordinate geometry to four equivalent Mo5+, four equivalent Pt2-, and six equivalent Br1- atoms. All Pt–Pt bond lengths are 2.79 Å. All Pt–Br bond lengths are 3.22 Å. In the second Pt2- site, Pt2- is bonded to four equivalent Pt2- and four equivalent Br1- atoms to form distorted edge-sharing PtPt4Br4 tetrahedra. All Pt–Br bond lengths are 2.79 Å. Br1- is bonded in a body-centered cubic geometry to four equivalent Mo5+ and ten Pt2- atoms.