Materials Data on SmInCo2 by Materials Project

Abstract

SmCo2In crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Sm is bonded in a 1-coordinate geometry to seven Co and six equivalent In atoms. There are a spread of Sm–Co bond distances ranging from 2.69–3.13 Å. There are four shorter (3.27 Å) and two longer (3.34 Å) Sm–In bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Sm, six Co, and two equivalent In atoms to form a mixture of edge, corner, and face-sharing CoSm4In2Co6 cuboctahedra. There are four shorter (2.47 Å) and two longer (2.53 Å) Co–Co bond lengths. Both Co–In bond lengths are 2.79 Å. In the second Co site, Co is bonded in a 3-coordinate geometry to three equivalent Sm, four equivalent Co, and two equivalent In atoms. Both Co–In bond lengths are 2.73 Å. In is bonded in a 12-coordinate geometry to six equivalent Sm, four Co, and two equivalent In atoms. Both In–In bond lengths are 3.35 Å.