Materials Data on PrAl by Materials Project

Dataset · Thu Jul 16 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1274428· OSTI ID:1274428

The Materials Project

PrAl crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 2-coordinate geometry to eight Al atoms. There are a spread of Pr–Al bond distances ranging from 3.19–3.54 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to eight equivalent Pr and two equivalent Al atoms. Both Al–Al bond lengths are 2.73 Å. In the second Al site, Al is bonded to eight equivalent Pr and four Al atoms to form a mixture of edge, corner, and face-sharing AlPr8Al4 cuboctahedra. Both Al–Al bond lengths are 2.88 Å.

• 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: 1274428
• Report Number(s): mp-568417
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
PrAl
Al-Pr