Materials Data on Hf2Co7 by Materials Project

Dataset · Fri Jun 05 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1727648· OSTI ID:1727648

Co7Hf2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Hf is bonded in a 8-coordinate geometry to fourteen Co atoms. There are a spread of Hf–Co bond distances ranging from 2.73–2.87 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Hf and eight Co atoms to form a mixture of face, edge, and corner-sharing CoHf4Co8 cuboctahedra. There are four shorter (2.37 Å) and four longer (2.50 Å) Co–Co bond lengths. In the second Co site, Co is bonded to four equivalent Hf and eight Co atoms to form a mixture of face, edge, and corner-sharing CoHf4Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.33–2.49 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to four equivalent Hf and eight Co atoms. There are a spread of Co–Co bond distances ranging from 2.39–2.77 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: 1727648
• Report Number(s): mp-1079776
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Co-Hf
Hf2Co7
crystal structure