Materials Data on Er6Al2Ge7 by Materials Project

Abstract

Er6Al2Ge7 crystallizes in the monoclinic C2/m 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 nine Ge atoms. There are a spread of Er–Ge bond distances ranging from 3.01–3.58 Å. In the second Er site, Er is bonded in a 8-coordinate geometry to two equivalent Al and seven Ge atoms. Both Er–Al bond lengths are 3.19 Å. There are a spread of Er–Ge bond distances ranging from 2.99–3.60 Å. In the third Er site, Er is bonded in a 8-coordinate geometry to two equivalent Al and six Ge atoms. Both Er–Al bond lengths are 3.19 Å. There are a spread of Er–Ge bond distances ranging from 3.00–3.04 Å. Al is bonded in a 4-coordinate geometry to four Er and four Ge atoms. There are two shorter (2.68 Å) and two longer (2.70 Å) Al–Ge bond lengths. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Er and three Ge atoms. There are one shorter (2.57 Å) and two longer (2.75 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Er, two equivalent Al, and one Ge atom. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Er, two equivalent Al, and one Ge atom. The Ge–Ge bond length is 2.61 Å. In the fourth Ge site, Ge is bonded to eight Er and four equivalent Ge atoms to form a mixture of distorted edge and face-sharing GeEr8Ge4 cuboctahedra.