Materials Data on Nd2Zn5Sn by Materials Project

Abstract

Nd2Zn5Sn crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 11-coordinate geometry to thirteen Zn and two equivalent Sn atoms. There are a spread of Nd–Zn bond distances ranging from 3.14–3.34 Å. Both Nd–Sn bond lengths are 3.36 Å. In the second Nd site, Nd is bonded in a 6-coordinate geometry to ten Zn and four equivalent Sn atoms. There are a spread of Nd–Zn bond distances ranging from 3.23–3.64 Å. All Nd–Sn bond lengths are 3.32 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to four Nd and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–2.91 Å. In the second Zn site, Zn is bonded in a 1-coordinate geometry to five Nd, four Zn, and one Sn atom. The Zn–Zn bond length is 2.56 Å. The Zn–Sn bond length is 2.71 Å. In the third Zn site, Zn is bonded in a 1-coordinate geometry to five Nd, six Zn, and one Sn atom. The Zn–Sn bond length is 2.64 Å. Sn is bonded in a 9-coordinate geometry to six Nd and three Zn atoms.