Materials Data on Na(CoO2)3 by Materials Project
Na(CoO2)3 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Na1+ is bonded in a 2-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 1.54–1.84 Å. Co+3.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Co–O bond distances ranging from 1.73–1.85 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+ and three equivalent Co+3.67+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+ and one O2- atom. The O–O bond length is 1.25 Å. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+ and three equivalent Co+3.67+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Co+3.67+ and two O2- atoms. The O–O bond length is 1.52 Å.
- 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:
- 1284730
- Report Number(s):
- mp-694932
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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Materials Data on Na2(CoO2)3 by Materials Project
Materials Data on Na(CoO2)3 by Materials Project