Materials Data on HfZrV4 by Materials Project

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

DOI:https://doi.org/10.17188/1705690· OSTI ID:1705690

HfZrV4 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 Zr and twelve equivalent V atoms. All Hf–Zr bond lengths are 3.18 Å. All Hf–V bond lengths are 3.04 Å. Zr is bonded in a 12-coordinate geometry to four equivalent Hf and twelve equivalent V atoms. All Zr–V bond lengths are 3.04 Å. V is bonded to three equivalent Hf, three equivalent Zr, and six equivalent V atoms to form a mixture of corner, edge, and face-sharing VHf3Zr3V6 cuboctahedra. There are three shorter (2.59 Å) and three longer (2.60 Å) V–V bond lengths.

• 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: 1705690
• Report Number(s): mp-1224085
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Hf-V-Zr
HfZrV4
crystal structure