Materials Data on CeAlRu by Materials Project
CeRuAl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 5-coordinate geometry to five Ru and six Al atoms. There are a spread of Ce–Ru bond distances ranging from 2.80–3.04 Å. There are a spread of Ce–Al bond distances ranging from 3.17–3.28 Å. In the second Ce site, Ce is bonded in a 5-coordinate geometry to five Ru atoms. There are a spread of Ce–Ru bond distances ranging from 2.86–3.12 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 9-coordinate geometry to six Ce and three Al atoms. There are a spread of Ru–Al bond distances ranging from 2.68–2.79 Å. In the second Ru site, Ru is bonded in a 9-coordinate geometry to four Ce and five Al atoms. There are a spread of Ru–Al bond distances ranging from 2.62–2.67 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to two equivalent Ce and four Ru atoms. In the second Al site, Al is bonded in a 4-coordinate geometry to four equivalent Ce and four Ru 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:
- 1272925
- Report Number(s):
- mp-604008
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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