Materials Data on Nd3In4Ge by Materials Project

Nd3In4Ge crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 2-coordinate geometry to eight equivalent In and two equivalent Ge atoms. All Nd–In bond lengths are 3.44 Å. Both Nd–Ge bond lengths are 3.02 Å. In the second Nd site, Nd is bonded in a 8-coordinate geometry to eight equivalent In and two equivalent Ge atoms. There are a spread of Nd–In bond distances ranging from 3.19–3.91 Å. Both Nd–Ge bond lengths are 3.22 Å. In is bonded in a 5-coordinate geometry to six Nd and four equivalent In atoms. There are a spread of In–In bond distances ranging from 3.00–3.43 Å. Ge is bonded to six Nd atoms to form corner-sharing GeNd6 octahedra. The corner-sharing octahedra tilt angles range from 0–38°.