Materials Data on Nd3(CuGe)4 by Materials Project
Nd3(CuGe)4 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 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (3.07 Å) and two longer (3.15 Å) Nd–Cu bond lengths. There are two shorter (3.07 Å) and four longer (3.15 Å) Nd–Ge bond lengths. In the second Nd site, Nd is bonded to eight equivalent Cu and six Ge atoms to form distorted face-sharing NdCu8Ge6 octahedra. All Nd–Cu bond lengths are 3.46 Å. There are four shorter (3.01 Å) and two longer (3.10 Å) Nd–Ge bond lengths. Cu is bonded in a 10-coordinate geometry to five Nd, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.51 Å. There are a spread of Cu–Ge bond distances ranging from 2.53–2.71 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Nd, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three Nd and six equivalent Cu atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1262418
- Report Number(s):
- mp-505292
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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