Materials Data on YbSi3 by Materials Project

Abstract

YbSi3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to twelve Si atoms. There are a spread of Yb–Si bond distances ranging from 3.08–3.28 Å. In the second Yb site, Yb is bonded in a 12-coordinate geometry to twelve Si atoms. All Yb–Si bond lengths are 3.07 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four Yb and five Si atoms. There are a spread of Si–Si bond distances ranging from 2.45–2.62 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to four Yb and five Si atoms. The Si–Si bond length is 2.37 Å.