Materials Data on SmCo12 by Materials Project

Abstract

SmCo12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded to twelve Co atoms to form face-sharing SmCo12 cuboctahedra. There are four shorter (2.71 Å) and eight longer (2.91 Å) Sm–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 4-coordinate geometry to two equivalent Sm and twelve Co atoms. There are a spread of Co–Co bond distances ranging from 2.40–2.93 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to eleven Co atoms. There are a spread of Co–Co bond distances ranging from 2.26–2.60 Å. In the third Co site, Co is bonded in a 5-coordinate geometry to one Sm and ten Co atoms. Both Co–Co bond lengths are 2.23 Å.