skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on NaCu3O4 by Materials Project

Abstract

NaCu3O4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Na1+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.62–2.74 Å. There are three inequivalent Cu+2.33+ sites. In the first Cu+2.33+ site, Cu+2.33+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.87–1.90 Å. In the second Cu+2.33+ site, Cu+2.33+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.87–1.89 Å. In the third Cu+2.33+ site, Cu+2.33+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.91–1.93 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Na1+ and three Cu+2.33+ atoms to form a mixture of distorted corner, edge, and face-sharing ONa2Cu3 trigonal bipyramids. In the second O2- site, O2- is bonded to two equivalent Na1+ and three Cu+2.33+ atoms to form a mixture of distorted corner, edge, and face-sharing ONa2Cu3 trigonal bipyramids. In the third O2- site, O2- ismore » bonded to two equivalent Na1+ and three Cu+2.33+ atoms to form a mixture of distorted corner, edge, and face-sharing ONa2Cu3 trigonal bipyramids. In the fourth O2- site, O2- is bonded to two equivalent Na1+ and three Cu+2.33+ atoms to form a mixture of distorted corner, edge, and face-sharing ONa2Cu3 trigonal bipyramids.« less

Publication Date:
Other Number(s):
mp-756095
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; NaCu3O4; Cu-Na-O
OSTI Identifier:
1290346
DOI:
10.17188/1290346

Citation Formats

The Materials Project. Materials Data on NaCu3O4 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1290346.
The Materials Project. Materials Data on NaCu3O4 by Materials Project. United States. doi:10.17188/1290346.
The Materials Project. 2018. "Materials Data on NaCu3O4 by Materials Project". United States. doi:10.17188/1290346. https://www.osti.gov/servlets/purl/1290346. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1290346,
title = {Materials Data on NaCu3O4 by Materials Project},
author = {The Materials Project},
abstractNote = {NaCu3O4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Na1+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.62–2.74 Å. There are three inequivalent Cu+2.33+ sites. In the first Cu+2.33+ site, Cu+2.33+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.87–1.90 Å. In the second Cu+2.33+ site, Cu+2.33+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.87–1.89 Å. In the third Cu+2.33+ site, Cu+2.33+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.91–1.93 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Na1+ and three Cu+2.33+ atoms to form a mixture of distorted corner, edge, and face-sharing ONa2Cu3 trigonal bipyramids. In the second O2- site, O2- is bonded to two equivalent Na1+ and three Cu+2.33+ atoms to form a mixture of distorted corner, edge, and face-sharing ONa2Cu3 trigonal bipyramids. In the third O2- site, O2- is bonded to two equivalent Na1+ and three Cu+2.33+ atoms to form a mixture of distorted corner, edge, and face-sharing ONa2Cu3 trigonal bipyramids. In the fourth O2- site, O2- is bonded to two equivalent Na1+ and three Cu+2.33+ atoms to form a mixture of distorted corner, edge, and face-sharing ONa2Cu3 trigonal bipyramids.},
doi = {10.17188/1290346},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}

Dataset:

Save / Share: