Materials Data on Ca2Eu2In3Ge4 by Materials Project

Abstract

Ca2Eu2In3Ge4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ca is bonded in a 11-coordinate geometry to five In and six Ge atoms. There are a spread of Ca–In bond distances ranging from 3.45–3.54 Å. There are a spread of Ca–Ge bond distances ranging from 3.17–3.37 Å. Eu is bonded in a 5-coordinate geometry to two equivalent In and five Ge atoms. Both Eu–In bond lengths are 3.56 Å. There are a spread of Eu–Ge bond distances ranging from 3.17–3.24 Å. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Ca, four equivalent Eu, and four Ge atoms to form face-sharing InCa4Eu4Ge4 cuboctahedra. There are two shorter (2.93 Å) and two longer (3.13 Å) In–Ge bond lengths. In the second In site, In is bonded in a 4-coordinate geometry to three equivalent Ca and four Ge atoms. There are a spread of In–Ge bond distances ranging from 2.75–2.88 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ca, two equivalent Eu, two In, and one Ge atom. The Ge–Ge bond length is 2.51 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Ca, three equivalent Eu, and four In atoms.