Materials Data on Lu4FeGe8 by Materials Project
Lu4FeGe8 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are four inequivalent Lu sites. In the first Lu site, Lu is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.90–3.19 Å. In the second Lu site, Lu is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.93–3.14 Å. In the third Lu site, Lu is bonded in a 4-coordinate geometry to four equivalent Fe and ten Ge atoms. All Lu–Fe bond lengths are 3.15 Å. There are a spread of Lu–Ge bond distances ranging from 2.99–3.30 Å. In the fourth Lu site, Lu is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.95–3.26 Å. Fe is bonded in a 5-coordinate geometry to four equivalent Lu and five Ge atoms. There are three shorter (2.29 Å) and two longer (2.34 Å) Fe–Ge bond lengths. There are eight inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six Lu, one Fe, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.58 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six Lu and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.63 Å. In the third Ge site, Ge is bonded in a 4-coordinate geometry to six Lu and two equivalent Ge atoms. In the fourth Ge site, Ge is bonded in a 4-coordinate geometry to six Lu and two equivalent Ge atoms. In the fifth Ge site, Ge is bonded in a 2-coordinate geometry to four Lu, two equivalent Fe, and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.84 Å. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to four Lu and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.84 Å. In the seventh Ge site, Ge is bonded in a 4-coordinate geometry to four Lu, two equivalent Fe, and four equivalent Ge atoms. In the eighth Ge site, Ge is bonded in a 8-coordinate geometry to four Lu and four equivalent Ge atoms.