Materials Data on ZnRh3 by Materials Project

Abstract

Rh3Zn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to eight Rh and four equivalent Zn atoms to form distorted RhZn4Rh8 cuboctahedra that share corners with twelve equivalent RhZn4Rh8 cuboctahedra, edges with eight equivalent ZnRh12 cuboctahedra, edges with sixteen RhZn4Rh8 cuboctahedra, faces with four equivalent ZnRh12 cuboctahedra, and faces with fourteen RhZn4Rh8 cuboctahedra. All Rh–Rh bond lengths are 2.71 Å. All Rh–Zn bond lengths are 2.71 Å. In the second Rh site, Rh is bonded to eight equivalent Rh and four equivalent Zn atoms to form distorted RhZn4Rh8 cuboctahedra that share corners with four equivalent RhZn4Rh8 cuboctahedra, corners with eight equivalent ZnRh12 cuboctahedra, edges with twenty-four RhZn4Rh8 cuboctahedra, faces with six equivalent ZnRh12 cuboctahedra, and faces with twelve RhZn4Rh8 cuboctahedra. All Rh–Zn bond lengths are 2.71 Å. Zn is bonded to twelve Rh atoms to form ZnRh12 cuboctahedra that share corners with four equivalent ZnRh12 cuboctahedra, corners with eight equivalent RhZn4Rh8 cuboctahedra, edges with eight equivalent ZnRh12 cuboctahedra, edges with sixteen equivalent RhZn4Rh8 cuboctahedra, faces with four equivalent ZnRh12 cuboctahedra, and faces with fourteen RhZn4Rh8 cuboctahedra.