Materials Data on Nd2Ge3Pd by Materials Project

Abstract

Nd2PdGe3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to two equivalent Pd and ten Ge atoms to form a mixture of edge and face-sharing NdGe10Pd2 cuboctahedra. Both Nd–Pd bond lengths are 3.24 Å. There are a spread of Nd–Ge bond distances ranging from 3.24–3.29 Å. In the second Nd site, Nd is bonded to four equivalent Pd and eight Ge atoms to form a mixture of edge and face-sharing NdGe8Pd4 cuboctahedra. All Nd–Pd bond lengths are 3.27 Å. There are a spread of Nd–Ge bond distances ranging from 3.20–3.25 Å. Pd is bonded in a 3-coordinate geometry to six Nd and three Ge atoms. There are one shorter (2.45 Å) and two longer (2.47 Å) Pd–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Nd and three Ge atoms. There are one shorter (2.49 Å) and two longer (2.52 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 2-coordinate geometry to six Nd, two equivalent Pd, and one Ge atom. In the third Ge site, Ge is bonded in a 1-coordinate geometry to six Nd, one Pd, and two equivalent Ge atoms.