Materials Data on CeCu6 by Materials Project
CeCu6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to nineteen Cu atoms. There are a spread of Ce–Cu bond distances ranging from 2.85–3.39 Å. There are six inequivalent Cu sites. In the first Cu site, Cu is bonded in a 2-coordinate geometry to four equivalent Ce and ten Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.50–3.17 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Ce and nine Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.48–3.16 Å. In the third Cu site, Cu is bonded to three equivalent Ce and nine Cu atoms to form a mixture of corner, edge, and face-sharing CuCe3Cu9 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.44–2.52 Å. In the fourth Cu site, Cu is bonded to three equivalent Ce and nine Cu atoms to form a mixture of corner, edge, and face-sharing CuCe3Cu9 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.46–2.57 Å. In the fifth Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Ce and nine Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.44–3.03 Å. In the sixth Cu site, Cu is bonded to three equivalent Ce and nine Cu atoms to form a mixture of distorted corner, edge, and face-sharing CuCe3Cu9 cuboctahedra.
- 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:
- 1276918
- Report Number(s):
- mp-581942
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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