Materials Data on ZrSn by Materials Project

Abstract

ZrSn crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a 12-coordinate geometry to six Zr and six Sn atoms. There are a spread of Zr–Zr bond distances ranging from 3.15–3.38 Å. There are a spread of Zr–Sn bond distances ranging from 3.12–3.41 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to four equivalent Zr and six Sn atoms. There are four shorter (3.11 Å) and two longer (3.27 Å) Zr–Sn bond lengths. In the third Zr site, Zr is bonded in a 6-coordinate geometry to four equivalent Zr and six Sn atoms. There are a spread of Zr–Sn bond distances ranging from 3.08–3.27 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to six Zr atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six Zr atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to six Zr atoms.