Materials Data on HfTaV4 by Materials Project

Dataset · Tue May 05 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1729135· OSTI ID:1729135

HfTaV4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Ta and twelve equivalent V atoms. All Hf–Ta bond lengths are 3.12 Å. All Hf–V bond lengths are 2.99 Å. Ta is bonded in a 12-coordinate geometry to four equivalent Hf and twelve equivalent V atoms. All Ta–V bond lengths are 2.99 Å. V is bonded to three equivalent Hf, three equivalent Ta, and six equivalent V atoms to form a mixture of edge, face, and corner-sharing VHf3Ta3V6 cuboctahedra. All V–V bond lengths are 2.55 Å.

• 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: 1729135
• Report Number(s): mp-1224275
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Hf-Ta-V
HfTaV4
crystal structure