Materials Data on Mg(As2Rh3)2 by Materials Project

Mg(Rh3As2)2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mg is bonded to six equivalent Rh and six equivalent As atoms to form face-sharing MgAs6Rh6 cuboctahedra. All Mg–Rh bond lengths are 3.06 Å. All Mg–As bond lengths are 3.02 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Mg and four As atoms. There are two shorter (2.43 Å) and two longer (2.56 Å) Rh–As bond lengths. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five As atoms. There are four shorter (2.55 Å) and one longer (2.57 Å) Rh–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 8-coordinate geometry to two equivalent Mg and six Rh atoms. In the second As site, As is bonded in a 9-coordinate geometry to nine Rh atoms.