Materials Data on YCo4B by Materials Project
YCo4B crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Y is bonded in a 6-coordinate geometry to fifteen Co and three equivalent B atoms. There are three shorter (2.88 Å) and twelve longer (3.05 Å) Y–Co bond lengths. All Y–B bond lengths are 2.88 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to four equivalent Y, six Co, and two equivalent B atoms. There are a spread of Co–Co bond distances ranging from 2.32–2.63 Å. Both Co–B bond lengths are 2.22 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Y and six equivalent Co atoms. B is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent Co atoms.
- 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:
- 1714926
- Report Number(s):
- mp-1216046
- Country of Publication:
- United States
- Language:
- English
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