Materials Data on Nd5Sn4 by Materials Project
Nd5Sn4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.14–3.37 Å. In the second Nd site, Nd is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.27–3.83 Å. In the third Nd site, Nd is bonded to six Sn atoms to form corner-sharing NdSn6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. There are a spread of Nd–Sn bond distances ranging from 3.21–3.39 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to eight Nd and one Sn atom. The Sn–Sn bond length is 3.05 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to eight Nd atoms. In the third Sn site, Sn is bonded in a 9-coordinate geometry to eight Nd and one Sn atom.