Materials Data on TaW3 by Materials Project

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

DOI:https://doi.org/10.17188/1316118· OSTI ID:1316118

The Materials Project

TaW3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a distorted body-centered cubic geometry to fourteen W atoms. There are eight shorter (2.78 Å) and six longer (3.22 Å) Ta–W bond lengths. There are two inequivalent W sites. In the first W site, W is bonded to four equivalent Ta and four equivalent W atoms to form a mixture of distorted edge, corner, and face-sharing WTa4W4 tetrahedra. All W–W bond lengths are 2.78 Å. In the second W site, W is bonded in a 8-coordinate geometry to six equivalent Ta 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: 1316118
• Report Number(s): mp-979289
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
TaW3
Ta-W