Materials Data on U3Fe2Ge7 by Materials Project

Abstract

U3Fe2Ge7 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 12-coordinate geometry to two equivalent Fe and twelve Ge atoms. Both U–Fe bond lengths are 3.10 Å. There are a spread of U–Ge bond distances ranging from 2.97–3.02 Å. In the second U site, U is bonded in a 10-coordinate geometry to four equivalent Fe and ten Ge atoms. All U–Fe bond lengths are 3.31 Å. There are a spread of U–Ge bond distances ranging from 3.09–3.23 Å. Fe is bonded in a 5-coordinate geometry to five U and five Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.30–2.33 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted square co-planar geometry to four equivalent U atoms. In the second Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent U, one Fe, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.56 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four U and two equivalent Fe atoms. In the fourth Ge site, Ge is bonded in a 2-coordinate geometry to four U and two equivalent Fe atoms.