Materials Data on Yb2Sn5Pt3 by Materials Project

Abstract

Yb2Pt3Sn5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 8-coordinate geometry to two equivalent Pt and six Sn atoms. Both Yb–Pt bond lengths are 3.27 Å. There are a spread of Yb–Sn bond distances ranging from 3.22–3.25 Å. In the second Yb site, Yb is bonded in a 1-coordinate geometry to five Pt and eight Sn atoms. There are a spread of Yb–Pt bond distances ranging from 2.92–3.37 Å. There are a spread of Yb–Sn bond distances ranging from 3.18–3.44 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Pt–Sn bond distances ranging from 2.76–2.91 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to four equivalent Yb and five Sn atoms. There are a spread of Pt–Sn bond distances ranging from 2.68–2.83 Å. In the third Pt site, Pt is bonded in a 9-coordinate geometry to three Yb and six Sn atoms. There are a spread of Pt–Sn bond distances ranging from 2.73–2.94 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Yb and four Pt atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Yb and four Pt atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to two equivalent Yb and four Pt atoms. In the fourth Sn site, Sn is bonded in a 3-coordinate geometry to four Yb, three Pt, and one Sn atom. The Sn–Sn bond length is 3.09 Å. In the fifth Sn site, Sn is bonded in a 5-coordinate geometry to two equivalent Yb, three equivalent Pt, and one Sn atom.