Materials Data on Sm3(SiRu)2 by Materials Project

Abstract

Sm3Ru2Si2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 9-coordinate geometry to four equivalent Ru and five Si atoms. There are two shorter (3.06 Å) and two longer (3.19 Å) Sm–Ru bond lengths. There are a spread of Sm–Si bond distances ranging from 2.99–3.36 Å. In the second Sm site, Sm is bonded in a 6-coordinate geometry to four equivalent Ru and five Si atoms. There are a spread of Sm–Ru bond distances ranging from 2.86–3.09 Å. There are a spread of Sm–Si bond distances ranging from 3.06–3.55 Å. Ru is bonded in a 9-coordinate geometry to six Sm and three Si atoms. There are a spread of Ru–Si bond distances ranging from 2.50–2.54 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to seven Sm and two equivalent Ru atoms. In the second Si site, Si is bonded in a 12-coordinate geometry to eight Sm and four equivalent Ru atoms.