Materials Data on SmInCu by Materials Project

Abstract

SmCuIn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 11-coordinate geometry to five Cu and six In atoms. There are a spread of Sm–Cu bond distances ranging from 3.04–3.19 Å. There are two shorter (3.24 Å) and four longer (3.41 Å) Sm–In bond lengths. In the second Sm site, Sm is bonded in a 11-coordinate geometry to five Cu and six In atoms. There are four shorter (3.04 Å) and one longer (3.18 Å) Sm–Cu bond lengths. There are two shorter (3.23 Å) and four longer (3.42 Å) Sm–In bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to six Sm and three In atoms. All Cu–In bond lengths are 2.92 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to three Sm and six In atoms. All Cu–In bond lengths are 2.76 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to six Sm and four Cu atoms. In the second In site, In is bonded in a 10-coordinate geometry to six Sm and four Cu atoms.