Materials Data on Pr(Al4Co)2 by Materials Project
PrCo2Al8 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to thirteen Al atoms. There are a spread of Pr–Al bond distances ranging from 3.15–3.35 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.32–2.57 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.35–2.60 Å. There are nine inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Pr, two equivalent Co, and three Al atoms. There are a spread of Al–Al bond distances ranging from 2.68–3.00 Å. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent Pr, two Co, and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.79–2.85 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Pr, two equivalent Co, and two Al atoms. There are one shorter (2.69 Å) and one longer (2.72 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Pr, two equivalent Co, and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.63–2.85 Å. In the fifth Al site, Al is bonded in a distorted linear geometry to two equivalent Pr, two equivalent Co, and four equivalent Al atoms. All Al–Al bond lengths are 2.77 Å. In the sixth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Pr, two equivalent Co, and eight Al atoms. In the seventh Al site, Al is bonded in a 2-coordinate geometry to two equivalent Pr, two equivalent Co, and five Al atoms. The Al–Al bond length is 2.64 Å. In the eighth Al site, Al is bonded in a 3-coordinate geometry to three Co atoms. In the ninth Al site, Al is bonded in a 12-coordinate geometry to four equivalent Co and four Al 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:
- 1273729
- Report Number(s):
- mp-567156
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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