U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na2CoO3 by Materials Project
Abstract
Na2CoO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.41–2.78 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form face-sharing NaO6 octahedra. There are four shorter (2.30 Å) and two longer (2.53 Å) Na–O bond lengths. In the third Na1+ site, Na1+ is bonded to six O2- atoms to form face-sharing NaO6 octahedra. There are two shorter (2.39 Å) and four longer (2.46 Å) Na–O bond lengths. Co4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.68 Å) and one longer (1.69 Å) Co–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and one Co4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four Na1+ and one Co4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-764602
- 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; Na2CoO3; Co-Na-O
- OSTI Identifier:
- 1295035
- DOI:
- https://doi.org/10.17188/1295035
Citation Formats
The Materials Project. Materials Data on Na2CoO3 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1295035.
The Materials Project. Materials Data on Na2CoO3 by Materials Project. United States. doi:https://doi.org/10.17188/1295035
The Materials Project. 2017.
"Materials Data on Na2CoO3 by Materials Project". United States. doi:https://doi.org/10.17188/1295035. https://www.osti.gov/servlets/purl/1295035. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1295035,
title = {Materials Data on Na2CoO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2CoO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.41–2.78 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form face-sharing NaO6 octahedra. There are four shorter (2.30 Å) and two longer (2.53 Å) Na–O bond lengths. In the third Na1+ site, Na1+ is bonded to six O2- atoms to form face-sharing NaO6 octahedra. There are two shorter (2.39 Å) and four longer (2.46 Å) Na–O bond lengths. Co4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.68 Å) and one longer (1.69 Å) Co–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and one Co4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four Na1+ and one Co4+ atom.},
doi = {10.17188/1295035},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 21 00:00:00 EDT 2017},
month = {Fri Jul 21 00:00:00 EDT 2017}
}