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Title: Materials Data on NaCuO by Materials Project

Abstract

NaCuO is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Na1+ is bonded to four equivalent O2- atoms to form distorted NaO4 tetrahedra that share corners with four equivalent CuO4 tetrahedra, corners with twelve equivalent NaO4 tetrahedra, and edges with six equivalent CuO4 tetrahedra. All Na–O bond lengths are 2.32 Å. Cu1+ is bonded to four equivalent O2- atoms to form distorted CuO4 tetrahedra that share corners with four equivalent NaO4 tetrahedra, corners with twelve equivalent CuO4 tetrahedra, and edges with six equivalent NaO4 tetrahedra. All Cu–O bond lengths are 2.32 Å. O2- is bonded in a body-centered cubic geometry to four equivalent Na1+ and four equivalent Cu1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1008867
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; NaCuO; Cu-Na-O
OSTI Identifier:
1325138
DOI:
https://doi.org/10.17188/1325138

Citation Formats

The Materials Project. Materials Data on NaCuO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1325138.
The Materials Project. Materials Data on NaCuO by Materials Project. United States. doi:https://doi.org/10.17188/1325138
The Materials Project. 2020. "Materials Data on NaCuO by Materials Project". United States. doi:https://doi.org/10.17188/1325138. https://www.osti.gov/servlets/purl/1325138. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1325138,
title = {Materials Data on NaCuO by Materials Project},
author = {The Materials Project},
abstractNote = {NaCuO is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Na1+ is bonded to four equivalent O2- atoms to form distorted NaO4 tetrahedra that share corners with four equivalent CuO4 tetrahedra, corners with twelve equivalent NaO4 tetrahedra, and edges with six equivalent CuO4 tetrahedra. All Na–O bond lengths are 2.32 Å. Cu1+ is bonded to four equivalent O2- atoms to form distorted CuO4 tetrahedra that share corners with four equivalent NaO4 tetrahedra, corners with twelve equivalent CuO4 tetrahedra, and edges with six equivalent NaO4 tetrahedra. All Cu–O bond lengths are 2.32 Å. O2- is bonded in a body-centered cubic geometry to four equivalent Na1+ and four equivalent Cu1+ atoms.},
doi = {10.17188/1325138},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}