Materials Data on Lu3Ge3Ir2 by Materials Project

Abstract

Lu3Ir2Ge3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 11-coordinate geometry to four equivalent Ir and seven Ge atoms. There are a spread of Lu–Ir bond distances ranging from 2.93–3.24 Å. There are a spread of Lu–Ge bond distances ranging from 2.99–3.20 Å. In the second Lu site, Lu is bonded in a 9-coordinate geometry to four equivalent Ir and five Ge atoms. All Lu–Ir bond lengths are 3.04 Å. There are a spread of Lu–Ge bond distances ranging from 3.00–3.04 Å. Ir is bonded in a 10-coordinate geometry to six Lu and four Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.48–2.68 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Lu, three equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.69 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Lu and two equivalent Ir atoms.