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Title: Materials Data on Na2Co2O3 by Materials Project

Abstract

Na2Co2O3 is Aluminum carbonitride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.67 Å. Co2+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing CoO4 tetrahedra. There are a spread of Co–O bond distances ranging from 1.96–2.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Na1+ and two equivalent Co2+ atoms to form corner-sharing ONa4Co2 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three equivalent Co2+ atoms.

Publication Date:
Other Number(s):
mp-774332
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; Na2Co2O3; Co-Na-O
OSTI Identifier:
1302496
DOI:
10.17188/1302496

Citation Formats

The Materials Project. Materials Data on Na2Co2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1302496.
The Materials Project. Materials Data on Na2Co2O3 by Materials Project. United States. doi:10.17188/1302496.
The Materials Project. 2020. "Materials Data on Na2Co2O3 by Materials Project". United States. doi:10.17188/1302496. https://www.osti.gov/servlets/purl/1302496. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1302496,
title = {Materials Data on Na2Co2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2Co2O3 is Aluminum carbonitride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.67 Å. Co2+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing CoO4 tetrahedra. There are a spread of Co–O bond distances ranging from 1.96–2.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Na1+ and two equivalent Co2+ atoms to form corner-sharing ONa4Co2 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three equivalent Co2+ atoms.},
doi = {10.17188/1302496},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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