Materials Data on ZrSn by Materials Project

Abstract

ZrSn crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 12-coordinate geometry to five Zr and seven Sn atoms. There are a spread of Zr–Zr bond distances ranging from 3.00–3.31 Å. There are a spread of Zr–Sn bond distances ranging from 2.98–3.28 Å. In the second Zr site, Zr is bonded in a 12-coordinate geometry to four equivalent Zr and six Sn atoms. There are a spread of Zr–Sn bond distances ranging from 3.05–3.23 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted hexagonal planar geometry to six Zr atoms. In the second Sn site, Sn is bonded in a 7-coordinate geometry to seven Zr atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to six Zr atoms.