Materials Data on Mn6PtRh by Materials Project

Abstract

Mn6RhPt is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Mn sites. In the first Mn site, Mn is bonded to eight equivalent Mn and four equivalent Pt atoms to form distorted MnMn8Pt4 cuboctahedra that share corners with twelve MnMn8Pt4 cuboctahedra, edges with eight equivalent RhMn12 cuboctahedra, edges with sixteen equivalent MnMn8Pt2Rh2 cuboctahedra, faces with four equivalent PtMn12 cuboctahedra, and faces with fourteen MnMn8Pt4 cuboctahedra. All Mn–Mn bond lengths are 2.57 Å. All Mn–Pt bond lengths are 2.57 Å. In the second Mn site, Mn is bonded to eight equivalent Mn and four equivalent Rh atoms to form distorted MnMn8Rh4 cuboctahedra that share corners with twelve MnMn8Pt4 cuboctahedra, edges with eight equivalent PtMn12 cuboctahedra, edges with sixteen equivalent MnMn8Pt2Rh2 cuboctahedra, faces with four equivalent RhMn12 cuboctahedra, and faces with fourteen MnMn8Pt4 cuboctahedra. All Mn–Mn bond lengths are 2.56 Å. All Mn–Rh bond lengths are 2.57 Å. In the third Mn site, Mn is bonded to eight Mn, two equivalent Rh, and two equivalent Pt atoms to form distorted MnMn8Pt2Rh2 cuboctahedra that share corners with twelve equivalent MnMn8Pt2Rh2 cuboctahedra, edges with four equivalent RhMn12 cuboctahedra, edges with four equivalent PtMn12 cuboctahedra, edges with sixteen MnMn8Pt4 cuboctahedra, faces with two equivalent RhMn12 cuboctahedra, faces with two equivalent PtMn12 cuboctahedra, and faces with fourteen MnMn8Pt4 cuboctahedra. All Mn–Mn bond lengths are 2.57 Å. Both Mn–Rh bond lengths are 2.56 Å. Both Mn–Pt bond lengths are 2.57 Å. Rh is bonded to twelve Mn atoms to form RhMn12 cuboctahedra that share corners with four equivalent RhMn12 cuboctahedra, corners with eight equivalent PtMn12 cuboctahedra, edges with twenty-four MnMn8Pt4 cuboctahedra, faces with two equivalent PtMn12 cuboctahedra, faces with four equivalent RhMn12 cuboctahedra, and faces with twelve MnMn8Rh4 cuboctahedra. Pt is bonded to twelve Mn atoms to form PtMn12 cuboctahedra that share corners with four equivalent PtMn12 cuboctahedra, corners with eight equivalent RhMn12 cuboctahedra, edges with twenty-four MnMn8Rh4 cuboctahedra, faces with two equivalent RhMn12 cuboctahedra, faces with four equivalent PtMn12 cuboctahedra, and faces with twelve MnMn8Pt4 cuboctahedra.