Materials Data on Y11(In3Ge2)2 by Materials Project

Abstract

Y11(In3Ge2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Y sites. In the first Y site, Y is bonded in a 7-coordinate geometry to four equivalent In and three Ge atoms. There are two shorter (3.39 Å) and two longer (3.45 Å) Y–In bond lengths. There are a spread of Y–Ge bond distances ranging from 3.10–3.26 Å. In the second Y site, Y is bonded in a 5-coordinate geometry to four In and three Ge atoms. There are two shorter (3.10 Å) and two longer (3.37 Å) Y–In bond lengths. All Y–Ge bond lengths are 3.02 Å. In the third Y site, Y is bonded in a 7-coordinate geometry to three In and four Ge atoms. There are one shorter (3.31 Å) and two longer (3.47 Å) Y–In bond lengths. There are two shorter (2.85 Å) and two longer (3.34 Å) Y–Ge bond lengths. In the fourth Y site, Y is bonded in a 9-coordinate geometry to eight In and one Ge atom. There are four shorter (3.38 Å) and four longer (3.44 Å) Y–In bond lengths. The Y–Ge bond length is 3.64 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to eight Y and two In atoms. There are one shorter (2.97 Å) and one longer (3.08 Å) In–In bond lengths. In the second In site, In is bonded in a 11-coordinate geometry to seven Y and four In atoms. Both In–In bond lengths are 2.99 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to eight Y atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Y atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to eight Y atoms.