Materials Data on Er5(Ge5Rh2)2 by Materials Project

Abstract

Er5Rh4Ge10 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 8-coordinate geometry to four equivalent Rh and twelve Ge atoms. All Er–Rh bond lengths are 3.22 Å. There are eight shorter (2.98 Å) and four longer (3.35 Å) Er–Ge bond lengths. In the second Er site, Er is bonded to four equivalent Rh and eight Ge atoms to form distorted face-sharing ErGe8Rh4 cuboctahedra. All Er–Rh bond lengths are 3.10 Å. There are a spread of Er–Ge bond distances ranging from 2.95–3.16 Å. In the third Er site, Er is bonded in a 4-coordinate geometry to four equivalent Rh and ten Ge atoms. All Er–Rh bond lengths are 3.34 Å. There are a spread of Er–Ge bond distances ranging from 3.21–3.32 Å. Rh is bonded in a 10-coordinate geometry to five Er and five Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.44–2.57 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Er, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.46 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Er, two equivalent Rh, and three Ge atoms. There are one shorter (2.56 Å) and two longer (3.02 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four Er, two equivalent Rh, and four Ge atoms. Both Ge–Ge bond lengths are 2.94 Å.