Materials Data on ErTa3 by Materials Project

Dataset · Mon Jul 20 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1316601· OSTI ID:1316601

ErTa3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a distorted body-centered cubic geometry to fourteen Ta atoms. There are eight shorter (2.97 Å) and six longer (3.43 Å) Er–Ta bond lengths. There are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a distorted body-centered cubic geometry to four equivalent Er and four equivalent Ta atoms. All Ta–Ta bond lengths are 2.97 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to six equivalent Er and eight equivalent Ta atoms.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1316601
• Report Number(s): mp-984707
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Er-Ta
ErTa3
crystal structure