Materials Data on ErGeRh2 by Materials Project

Abstract

ErRh2Ge crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded in a 9-coordinate geometry to one Er and nine equivalent Rh atoms. The Er–Er bond length is 3.28 Å. There are three shorter (3.02 Å) and six longer (3.11 Å) Er–Rh bond lengths. In the second Er site, Er is bonded in a 9-coordinate geometry to one Er and nine equivalent Rh atoms. The Er–Er bond length is 3.28 Å. There are three shorter (3.02 Å) and six longer (3.11 Å) Er–Rh bond lengths. In the third Er site, Er is bonded in a 9-coordinate geometry to one Er and nine equivalent Rh atoms. The Er–Er bond length is 3.28 Å. There are three shorter (3.02 Å) and six longer (3.11 Å) Er–Rh bond lengths. In the fourth Er site, Er is bonded in a 6-coordinate geometry to two Er, twelve equivalent Rh, and six Ge atoms. All Er–Rh bond lengths are 3.38 Å. All Er–Ge bond lengths are 3.22 Å. Rh is bonded in a 12-coordinate geometry to five Er, four equivalent Rh, and three Ge atoms. There are two shorter (2.76 Å) and two longer (2.82 Å) Rh–Rh bond lengths. There are a spread of Rh–Ge bond distances ranging from 2.48–2.55 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Rh atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Rh atoms. In the third Ge site, Ge is bonded in a distorted cuboctahedral geometry to six equivalent Rh atoms.