Materials Data on SmSi3Rh5 by Materials Project

Abstract

SmRh5Si3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to twelve Rh and six Si atoms. There are a spread of Sm–Rh bond distances ranging from 3.09–3.52 Å. There are a spread of Sm–Si bond distances ranging from 3.09–3.13 Å. There are five inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted trigonal non-coplanar geometry to one Sm and three equivalent Si atoms. There are one shorter (2.34 Å) and two longer (2.50 Å) Rh–Si bond lengths. In the second Rh site, Rh is bonded in a 4-coordinate geometry to three equivalent Sm and four Si atoms. There are two shorter (2.42 Å) and two longer (2.49 Å) Rh–Si bond lengths. In the third Rh site, Rh is bonded in a 4-coordinate geometry to three equivalent Sm and four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.42–2.50 Å. In the fourth Rh site, Rh is bonded in a 4-coordinate geometry to three equivalent Sm and four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.43–2.51 Å. In the fifth Rh site, Rh is bonded in a 5-coordinate geometry to two equivalent Sm and five Si atoms. There are a spread of Rh–Si bond distances ranging from 2.37–2.53 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to two equivalent Sm and six Rh atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to two equivalent Sm and seven Rh atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to two equivalent Sm and seven Rh atoms.