Materials Data on Sm2In3Cu by Materials Project

Sm2CuIn3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to two equivalent Cu and ten In atoms to form a mixture of distorted edge and face-sharing SmIn10Cu2 cuboctahedra. Both Sm–Cu bond lengths are 3.26 Å. There are a spread of Sm–In bond distances ranging from 3.35–3.54 Å. In the second Sm site, Sm is bonded to four equivalent Cu and eight In atoms to form a mixture of edge and face-sharing SmIn8Cu4 cuboctahedra. All Sm–Cu bond lengths are 3.33 Å. There are a spread of Sm–In bond distances ranging from 3.21–3.40 Å. Cu is bonded in a 9-coordinate geometry to six Sm and three In atoms. There are one shorter (2.65 Å) and two longer (2.69 Å) Cu–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a 9-coordinate geometry to six Sm and three In atoms. All In–In bond lengths are 2.88 Å. In the second In site, In is bonded in a 9-coordinate geometry to six Sm, two equivalent Cu, and one In atom. In the third In site, In is bonded in a 1-coordinate geometry to six Sm, one Cu, and two equivalent In atoms.