U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na7(CuO3)2 by Materials Project
Abstract
Na7(CuO3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing NaO4 trigonal pyramids. There are a spread of Na–O bond distances ranging from 2.27–2.42 Å. In the second Na1+ site, Na1+ is bonded to four O2- atoms to form a mixture of distorted edge and corner-sharing NaO4 trigonal pyramids. There are a spread of Na–O bond distances ranging from 2.30–2.36 Å. In the third Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.42–2.67 Å. In the fourth Na1+ site, Na1+ is bonded to four O2- atoms to form a mixture of distorted edge and corner-sharing NaO4 trigonal pyramids. There are two shorter (2.34 Å) and two longer (2.40 Å) Na–O bond lengths. Cu+2.50+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of Cu–O bond distances ranging from 1.84–1.86 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to five Na1+ and one Cu+2.50+ atommore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-773596
- 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; Na7(CuO3)2; Cu-Na-O
- OSTI Identifier:
- 1302024
- DOI:
- https://doi.org/10.17188/1302024
Citation Formats
The Materials Project. Materials Data on Na7(CuO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1302024.
The Materials Project. Materials Data on Na7(CuO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1302024
The Materials Project. 2020.
"Materials Data on Na7(CuO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1302024. https://www.osti.gov/servlets/purl/1302024. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1302024,
title = {Materials Data on Na7(CuO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Na7(CuO3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing NaO4 trigonal pyramids. There are a spread of Na–O bond distances ranging from 2.27–2.42 Å. In the second Na1+ site, Na1+ is bonded to four O2- atoms to form a mixture of distorted edge and corner-sharing NaO4 trigonal pyramids. There are a spread of Na–O bond distances ranging from 2.30–2.36 Å. In the third Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.42–2.67 Å. In the fourth Na1+ site, Na1+ is bonded to four O2- atoms to form a mixture of distorted edge and corner-sharing NaO4 trigonal pyramids. There are two shorter (2.34 Å) and two longer (2.40 Å) Na–O bond lengths. Cu+2.50+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of Cu–O bond distances ranging from 1.84–1.86 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to five Na1+ and one Cu+2.50+ atom to form a mixture of distorted face, edge, and corner-sharing ONa5Cu octahedra. The corner-sharing octahedra tilt angles range from 49–58°. In the second O2- site, O2- is bonded to five Na1+ and one Cu+2.50+ atom to form a mixture of distorted edge and corner-sharing ONa5Cu octahedra. The corner-sharing octahedra tilt angles range from 39–60°. In the third O2- site, O2- is bonded in a 6-coordinate geometry to five Na1+ and one Cu+2.50+ atom.},
doi = {10.17188/1302024},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}