Materials Data on NdGe2Pt by Materials Project

Abstract

NdPtGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 8-coordinate geometry to four equivalent Pt and ten Ge atoms. All Nd–Pt bond lengths are 3.33 Å. There are a spread of Nd–Ge bond distances ranging from 3.31–3.45 Å. In the second Nd site, Nd is bonded in a 8-coordinate geometry to six equivalent Pt and eight Ge atoms. All Nd–Pt bond lengths are 3.29 Å. There are four shorter (3.06 Å) and four longer (3.09 Å) Nd–Ge bond lengths. Pt is bonded in a 10-coordinate geometry to five Nd and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.52–2.69 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Nd and two equivalent Pt atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Nd, two equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.49 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Nd, three equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.70 Å.