Materials Data on Nd2AlGe6 by Materials Project

Abstract

Nd2AlGe6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to two equivalent Al and ten Ge atoms. There are one shorter (3.38 Å) and one longer (3.40 Å) Nd–Al bond lengths. There are a spread of Nd–Ge bond distances ranging from 3.14–3.39 Å. Al is bonded in a 5-coordinate geometry to four equivalent Nd and five Ge atoms. There are a spread of Al–Ge bond distances ranging from 2.54–2.65 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Nd, one Al, and two Ge atoms. There are one shorter (2.57 Å) and one longer (2.60 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Nd and two Ge atoms. The Ge–Ge bond length is 2.64 Å. In the third Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Nd, one Al, and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.50–2.58 Å. In the fourth Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Nd, one Al, and three Ge atoms. The Ge–Ge bond length is 2.50 Å. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Nd, one Al, and three Ge atoms. The Ge–Ge bond length is 2.51 Å.