Materials Data on MnRePt by Materials Project

Abstract

ReMnPt is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Re is bonded to six equivalent Mn and four equivalent Pt atoms to form distorted ReMn6Pt4 tetrahedra that share corners with four equivalent MnRe6Pt4 tetrahedra, corners with six equivalent ReMn6Pt4 tetrahedra, edges with six equivalent MnRe6Pt4 tetrahedra, and faces with twelve equivalent ReMn6Pt4 tetrahedra. All Re–Mn bond lengths are 2.93 Å. All Re–Pt bond lengths are 2.54 Å. Mn is bonded to six equivalent Re and four equivalent Pt atoms to form distorted MnRe6Pt4 tetrahedra that share corners with four equivalent ReMn6Pt4 tetrahedra, corners with six equivalent MnRe6Pt4 tetrahedra, edges with six equivalent ReMn6Pt4 tetrahedra, and faces with twelve equivalent MnRe6Pt4 tetrahedra. All Mn–Pt bond lengths are 2.54 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Re and four equivalent Mn atoms.