Materials Data on Nd3(AgSn)4 by Materials Project

Abstract

Nd3(AgSn)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to six Sn atoms to form distorted edge-sharing NdSn6 octahedra. There are four shorter (3.27 Å) and two longer (3.36 Å) Nd–Sn bond lengths. In the second Nd site, Nd is bonded in a 12-coordinate geometry to six equivalent Ag and six Sn atoms. There are four shorter (3.32 Å) and two longer (3.45 Å) Nd–Ag bond lengths. There are two shorter (3.38 Å) and four longer (3.42 Å) Nd–Sn bond lengths. Ag is bonded in a 12-coordinate geometry to three equivalent Nd, one Ag, and four Sn atoms. The Ag–Ag bond length is 2.90 Å. There are a spread of Ag–Sn bond distances ranging from 2.78–2.89 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three Nd and six equivalent Ag atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Nd, two equivalent Ag, and one Sn atom. The Sn–Sn bond length is 2.88 Å.