Materials Data on SmSi3Pt5 by Materials Project

Abstract

SmPt5Si3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Sm2+ is bonded in a 6-coordinate geometry to six Pt+1.20- atoms. There are a spread of Sm–Pt bond distances ranging from 3.10–3.19 Å. There are five inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded in a 4-coordinate geometry to two equivalent Sm2+ and four Si+1.33+ atoms. There are a spread of Pt–Si bond distances ranging from 2.39–2.58 Å. In the second Pt+1.20- site, Pt+1.20- is bonded in a 2-coordinate geometry to two equivalent Sm2+ and four Si+1.33+ atoms. There are a spread of Pt–Si bond distances ranging from 2.39–2.65 Å. In the third Pt+1.20- site, Pt+1.20- is bonded in a 6-coordinate geometry to two equivalent Sm2+ and four Si+1.33+ atoms. There are two shorter (2.44 Å) and two longer (2.65 Å) Pt–Si bond lengths. In the fourth Pt+1.20- site, Pt+1.20- is bonded in a 3-coordinate geometry to five Si+1.33+ atoms. There are a spread of Pt–Si bond distances ranging from 2.46–2.73 Å. In the fifth Pt+1.20- site, Pt+1.20- is bonded in a trigonal non-coplanar geometry to three equivalent Si+1.33+ atoms. There are one shorter (2.41 Å) and two longer (2.50 Å) Pt–Si bond lengths. There are three inequivalent Si+1.33+ sites. In the first Si+1.33+ site, Si+1.33+ is bonded in a 6-coordinate geometry to six Pt+1.20- atoms. In the second Si+1.33+ site, Si+1.33+ is bonded in a 7-coordinate geometry to seven Pt+1.20- atoms. In the third Si+1.33+ site, Si+1.33+ is bonded in a 7-coordinate geometry to seven Pt+1.20- atoms.