U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na(CoO2)3 by Materials Project
Abstract
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.
- Authors:
- Publication Date:
- Other Number(s):
- mp-694932
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Na(CoO2)3; Co-Na-O
- OSTI Identifier:
- 1284730
- DOI:
- https://doi.org/10.17188/1284730
Citation Formats
The Materials Project. Materials Data on Na(CoO2)3 by Materials Project. United States: N. p., 2015.
Web. doi:10.17188/1284730.
The Materials Project. Materials Data on Na(CoO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1284730
The Materials Project. 2015.
"Materials Data on Na(CoO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1284730. https://www.osti.gov/servlets/purl/1284730. Pub date:Wed Apr 08 00:00:00 EDT 2015
@article{osti_1284730,
title = {Materials Data on Na(CoO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1284730},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 08 00:00:00 EDT 2015},
month = {Wed Apr 08 00:00:00 EDT 2015}
}