Materials Data on PrW3 by Materials Project

Dataset · Sat Jul 18 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1314879· OSTI ID:1314879

The Materials Project

PrW3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a distorted body-centered cubic geometry to fourteen W atoms. There are eight shorter (2.90 Å) and six longer (3.35 Å) Pr–W bond lengths. There are two inequivalent W sites. In the first W site, W is bonded to four equivalent Pr and four equivalent W atoms to form a mixture of distorted corner, edge, and face-sharing WPr4W4 tetrahedra. All W–W bond lengths are 2.90 Å. In the second W site, W is bonded in a 8-coordinate geometry to six equivalent Pr and eight equivalent W 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: 1314879
• Report Number(s): mp-975787
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
PrW3
Pr-W