Materials Data on Nd3(CuSn)4 by Materials Project
Nd3Cu4Sn4 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 to six Sn atoms to form distorted edge-sharing NdSn6 octahedra. There are four shorter (3.11 Å) and two longer (3.26 Å) Nd–Sn bond lengths. In the second Nd site, Nd is bonded in a 12-coordinate geometry to six equivalent Cu and six Sn atoms. There are four shorter (3.23 Å) and two longer (3.27 Å) Nd–Cu bond lengths. There are two shorter (3.23 Å) and four longer (3.36 Å) Nd–Sn bond lengths. Cu is bonded in a 10-coordinate geometry to three equivalent Nd, one Cu, and four Sn atoms. The Cu–Cu bond length is 2.58 Å. There are a spread of Cu–Sn bond distances ranging from 2.66–2.83 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six Nd, two equivalent Cu, and one Sn atom. The Sn–Sn bond length is 2.82 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to three Nd and six equivalent Cu atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1310155
- Report Number(s):
- mp-864792
- Country of Publication:
- United States
- Language:
- English
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