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Title: Materials Data on Al3(Co10B3)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1262575· OSTI ID:1262575

Co20Al3B6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded to one Al and three equivalent B atoms to form a mixture of distorted edge and corner-sharing CoAlB3 tetrahedra. The Co–Al bond length is 2.40 Å. All Co–B bond lengths are 2.06 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to one Al and two equivalent B atoms. The Co–Al bond length is 2.52 Å. Both Co–B bond lengths are 2.10 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a cuboctahedral geometry to twelve equivalent Co atoms. In the second Al site, Al is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. B is bonded in a 8-coordinate geometry to eight Co atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1262575
Report Number(s):
mp-505537
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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