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Title: Materials Data on Co by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1281604· OSTI ID:1281604

Co is gamma-brass-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are eleven inequivalent Co sites. In the first Co site, Co is bonded in a 11-coordinate geometry to fourteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.40–2.84 Å. In the second Co site, Co is bonded in a 11-coordinate geometry to eleven Co atoms. There are a spread of Co–Co bond distances ranging from 2.31–2.56 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to eleven Co atoms. There are a spread of Co–Co bond distances ranging from 2.41–2.83 Å. In the fourth Co site, Co is bonded to twelve Co atoms to form a mixture of distorted face and corner-sharing CoCo12 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.42–2.62 Å. In the fifth Co site, Co is bonded in a 9-coordinate geometry to ten Co atoms. There are three shorter (2.49 Å) and one longer (3.01 Å) Co–Co bond lengths. In the sixth Co site, Co is bonded in a 11-coordinate geometry to eleven Co atoms. There are a spread of Co–Co bond distances ranging from 2.37–2.51 Å. In the seventh Co site, Co is bonded in a 10-coordinate geometry to thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.49–2.65 Å. In the eighth Co site, Co is bonded in a 8-coordinate geometry to fourteen Co atoms. All Co–Co bond lengths are 2.68 Å. In the ninth Co site, Co is bonded in a 12-coordinate geometry to twelve Co atoms. There are one shorter (2.33 Å) and one longer (2.90 Å) Co–Co bond lengths. In the tenth Co site, Co is bonded in a 10-coordinate geometry to ten Co atoms. The Co–Co bond length is 2.85 Å. In the eleventh Co site, Co is bonded in a 6-coordinate geometry to fourteen 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:
1281604
Report Number(s):
mp-669382
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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