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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NdSiGe by Materials Project

NdGeSi crystallizes in the orthorhombic Imma space group. The structure is two-dimensional and consists of two NdGeSi sheets oriented in the (0, 0, 1) direction. Nd2+ is bonded in a 6-coordinate geometry to six equivalent Si4- atoms. There are two shorter (3.18 Å) and four longer (3.20 Å) Nd–Si bond lengths. Ge2+ is bonded in a single-bond geometry to one Si4- atom. The Ge–Si bond length is 2.52 Å. Si4- is bonded in a 9-coordinate geometry to six equivalent Nd2+, one Ge2+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.36 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd10(SiGe)3 by Materials Project

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.

36 MATERIALS SCIENCE↗