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Title: Materials Data on NaCuO2 by Materials Project

Abstract

NaCuO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent CuO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent CuO6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Na–O bond lengths are 2.36 Å. Cu3+ is bonded to six equivalent O2- atoms to form CuO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent CuO6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Cu–O bond lengths are 2.05 Å. O2- is bonded to three equivalent Na1+ and three equivalent Cu3+ atoms to form a mixture of corner and edge-sharing ONa3Cu3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-578606
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; NaCuO2; Cu-Na-O
OSTI Identifier:
1276617
DOI:
10.17188/1276617

Citation Formats

The Materials Project. Materials Data on NaCuO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276617.
The Materials Project. Materials Data on NaCuO2 by Materials Project. United States. doi:10.17188/1276617.
The Materials Project. 2020. "Materials Data on NaCuO2 by Materials Project". United States. doi:10.17188/1276617. https://www.osti.gov/servlets/purl/1276617. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1276617,
title = {Materials Data on NaCuO2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaCuO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent CuO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent CuO6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Na–O bond lengths are 2.36 Å. Cu3+ is bonded to six equivalent O2- atoms to form CuO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent CuO6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Cu–O bond lengths are 2.05 Å. O2- is bonded to three equivalent Na1+ and three equivalent Cu3+ atoms to form a mixture of corner and edge-sharing ONa3Cu3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1276617},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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