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Title: Materials Data on Na3CuO2 by Materials Project

Abstract

Na3CuO2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted see-saw-like geometry to four equivalent O2- atoms. There are a spread of Na–O bond distances ranging from 2.34–2.50 Å. In the second Na1+ site, Na1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Na–O bond lengths are 2.24 Å. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.82 Å. O2- is bonded to five Na1+ and one Cu1+ atom to form a mixture of distorted edge and corner-sharing ONa5Cu octahedra. The corner-sharing octahedra tilt angles range from 1–22°.

Publication Date:
Other Number(s):
mp-755401
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; Na3CuO2; Cu-Na-O
OSTI Identifier:
1289977
DOI:
10.17188/1289977

Citation Formats

The Materials Project. Materials Data on Na3CuO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289977.
The Materials Project. Materials Data on Na3CuO2 by Materials Project. United States. doi:10.17188/1289977.
The Materials Project. 2020. "Materials Data on Na3CuO2 by Materials Project". United States. doi:10.17188/1289977. https://www.osti.gov/servlets/purl/1289977. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1289977,
title = {Materials Data on Na3CuO2 by Materials Project},
author = {The Materials Project},
abstractNote = {Na3CuO2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted see-saw-like geometry to four equivalent O2- atoms. There are a spread of Na–O bond distances ranging from 2.34–2.50 Å. In the second Na1+ site, Na1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Na–O bond lengths are 2.24 Å. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.82 Å. O2- is bonded to five Na1+ and one Cu1+ atom to form a mixture of distorted edge and corner-sharing ONa5Cu octahedra. The corner-sharing octahedra tilt angles range from 1–22°.},
doi = {10.17188/1289977},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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