Materials Data on Sm5(Sn5Rh2)2 by Materials Project

Abstract

Sm5(Rh2Sn5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 8-coordinate geometry to four equivalent Rh and twelve Sn atoms. All Sm–Rh bond lengths are 3.52 Å. There are eight shorter (3.26 Å) and four longer (3.56 Å) Sm–Sn bond lengths. In the second Sm site, Sm is bonded to four equivalent Rh and eight Sn atoms to form face-sharing SmSn8Rh4 cuboctahedra. All Sm–Rh bond lengths are 3.31 Å. There are a spread of Sm–Sn bond distances ranging from 3.15–3.33 Å. In the third Sm site, Sm is bonded in a 8-coordinate geometry to four equivalent Rh and ten Sn atoms. All Sm–Rh bond lengths are 3.63 Å. There are four shorter (3.50 Å) and six longer (3.60 Å) Sm–Sn bond lengths. Rh is bonded in a 5-coordinate geometry to five Sm and five Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.61–2.75 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six Sm, two equivalent Rh, and one Sn atom. The Sn–Sn bond length is 2.78 Å. In the second Sn site, Sn is bonded in a 2-coordinate geometry to five Sm and two equivalent Rh atoms. In the third Sn site, Sn is bonded in a 2-coordinate geometry to four Sm and two equivalent Rh atoms.