Materials Data on Nd10(SiGe)3 by Materials Project

Abstract

Nd10(GeSi)3 crystallizes in the hexagonal P-62m 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 three equivalent Ge and three equivalent Si atoms. All Nd–Ge bond lengths are 3.20 Å. All Nd–Si bond lengths are 3.18 Å. In the second Nd site, Nd is bonded in a 3-coordinate geometry to three equivalent Ge and two equivalent Si atoms. There are two shorter (3.04 Å) and one longer (3.19 Å) Nd–Ge bond lengths. Both Nd–Si bond lengths are 3.59 Å. In the third Nd site, Nd is bonded in a 5-coordinate geometry to two equivalent Ge and three equivalent Si atoms. Both Nd–Ge bond lengths are 3.59 Å. There are two shorter (3.04 Å) and one longer (3.19 Å) Nd–Si bond lengths. Ge is bonded in a 9-coordinate geometry to nine Nd atoms. Si is bonded in a 9-coordinate geometry to nine Nd atoms.