Materials Data on Mg4P6Rh7 by Materials Project

Abstract

Mg4Rh7P6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Mg is bonded to six equivalent Rh and six equivalent P atoms to form MgP6Rh6 cuboctahedra that share corners with twelve equivalent MgP6Rh6 cuboctahedra, faces with six equivalent MgP6Rh6 cuboctahedra, and faces with two equivalent RhP6 octahedra. All Mg–Rh bond lengths are 2.80 Å. All Mg–P bond lengths are 2.85 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to six equivalent P atoms to form RhP6 octahedra that share faces with eight equivalent MgP6Rh6 cuboctahedra. All Rh–P bond lengths are 2.52 Å. In the second Rh site, Rh is bonded in a 12-coordinate geometry to four equivalent Mg and four equivalent P atoms. All Rh–P bond lengths are 2.44 Å. P is bonded in a 9-coordinate geometry to four equivalent Mg and five Rh atoms.