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Title: Materials Data on Na3CoO3 by Materials Project

Abstract

Na3CoO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.26–2.60 Å. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.90 Å. In the third Na1+ site, Na1+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.97 Å. Co3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.77 Å) and one longer (1.79 Å) Co–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five Na1+ and one Co3+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to six Na1+ and one Co3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to six Na1+ and one Co3+ atom.

Publication Date:
Other Number(s):
mp-776646
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Na3CoO3; Co-Na-O
OSTI Identifier:
1304346
DOI:
10.17188/1304346

Citation Formats

The Materials Project. Materials Data on Na3CoO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1304346.
The Materials Project. Materials Data on Na3CoO3 by Materials Project. United States. doi:10.17188/1304346.
The Materials Project. 2020. "Materials Data on Na3CoO3 by Materials Project". United States. doi:10.17188/1304346. https://www.osti.gov/servlets/purl/1304346. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1304346,
title = {Materials Data on Na3CoO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Na3CoO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.26–2.60 Å. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.90 Å. In the third Na1+ site, Na1+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.97 Å. Co3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.77 Å) and one longer (1.79 Å) Co–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five Na1+ and one Co3+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to six Na1+ and one Co3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to six Na1+ and one Co3+ atom.},
doi = {10.17188/1304346},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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