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Materials Data on Hf2Co7 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1729959· OSTI ID:1729959

Co7Hf2 is Frank-Kasper $$\mu$$ Phase-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 6-coordinate geometry to fourteen Co atoms. There are a spread of Hf–Co bond distances ranging from 2.72–2.87 Å. In the second Hf site, Hf is bonded in a 6-coordinate geometry to fourteen Co atoms. There are a spread of Hf–Co bond distances ranging from 2.73–2.87 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to four Hf and eight Co atoms to form a mixture of corner, edge, and face-sharing CoHf4Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.32–2.49 Å. In the second 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 2.35–2.76 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 2.38–2.78 Å. In the fourth Co site, Co is bonded to four Hf and eight Co atoms to form a mixture of corner, edge, and face-sharing CoHf4Co8 cuboctahedra.

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:
1729959
Report Number(s):
mp-1205422
Country of Publication:
United States
Language:
English

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