Materials Data on CeSi3Os by Materials Project

Abstract

CeOsSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ce3+ is bonded to twelve Si+1.33- atoms to form a mixture of distorted corner, edge, and face-sharing CeSi12 cuboctahedra. There are a spread of Ce–Si bond distances ranging from 3.08–3.41 Å. Os1+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are one shorter (2.35 Å) and four longer (2.38 Å) Os–Si bond lengths. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 1-coordinate geometry to four equivalent Ce3+, one Os1+, and four equivalent Si+1.33- atoms. All Si–Si bond lengths are 2.62 Å. In the second Si+1.33- site, Si+1.33- is bonded in a distorted bent 120 degrees geometry to four equivalent Ce3+, two equivalent Os1+, and two equivalent Si+1.33- atoms.