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Materials Data on CoO2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1726943· OSTI ID:1726943
Lix0CoO2 is trigonal omega-like structured and crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of eight Lix0CoO2 sheets oriented in the (0, 0, 1) direction. Co4+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There is four shorter (1.89 Å) and two longer (1.90 Å) Co–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Co4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Co4+ 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:
1726943
Report Number(s):
mp-1178540
Country of Publication:
United States
Language:
English

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