Materials Data on PrAl4Co by Materials Project
PrCoAl4 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to one Co and twelve Al atoms. The Pr–Co bond length is 2.99 Å. There are a spread of Pr–Al bond distances ranging from 3.11–3.28 Å. Co is bonded in a 9-coordinate geometry to one Pr and eight Al atoms. There are a spread of Co–Al bond distances ranging from 2.30–2.57 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted linear geometry to two equivalent Pr, two equivalent Co, and eight Al atoms. There are four shorter (2.80 Å) and four longer (2.94 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 4-coordinate geometry to two equivalent Pr, two equivalent Co, and eight Al atoms. There are two shorter (2.72 Å) and two longer (3.04 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 12-coordinate geometry to four equivalent Pr, two equivalent Co, and six Al atoms. There are one shorter (2.75 Å) and one longer (2.98 Å) Al–Al bond lengths.
- 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:
- 1314872
- Report Number(s):
- mp-975726
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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