Materials Data on Sm6InCo2 by Materials Project

Abstract

Sm6Co2In crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 4-coordinate geometry to three Co and one In atom. There are one shorter (2.79 Å) and two longer (2.94 Å) Sm–Co bond lengths. The Sm–In bond length is 3.48 Å. In the second Sm site, Sm is bonded in a 5-coordinate geometry to three Co and two In atoms. There are two shorter (2.95 Å) and one longer (3.21 Å) Sm–Co bond lengths. There are one shorter (3.29 Å) and one longer (3.73 Å) Sm–In bond lengths. In the third Sm site, Sm is bonded in a 4-coordinate geometry to two Co and two In atoms. There are one shorter (2.77 Å) and one longer (3.32 Å) Sm–Co bond lengths. There are one shorter (3.13 Å) and one longer (3.42 Å) Sm–In bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to eight Sm atoms. In the second Co site, Co is bonded in a 9-coordinate geometry to eight Sm and one Co atom. The Co–Co bond length is 2.23 Å. There are two inequivalent In sites. In the first In site, In is bonded in a cuboctahedral geometry to twelve Sm atoms. In the second In site, In is bonded in a body-centered cubic geometry to eight Sm atoms.