Materials Data on KNa2CuO2 by Materials Project
Abstract
KNa2CuO2 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. K1+ is bonded in a distorted single-bond geometry to one O2- atom. The K–O bond length is 2.82 Å. Na1+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are two shorter (2.28 Å) and two longer (2.51 Å) Na–O bond lengths. Cu1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.81 Å) and one longer (1.82 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Na1+ and one Cu1+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one K1+, four equivalent Na1+, and one Cu1+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-545359
- 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; KNa2CuO2; Cu-K-Na-O
- OSTI Identifier:
- 1266992
- DOI:
- https://doi.org/10.17188/1266992
Citation Formats
The Materials Project. Materials Data on KNa2CuO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1266992.
The Materials Project. Materials Data on KNa2CuO2 by Materials Project. United States. doi:https://doi.org/10.17188/1266992
The Materials Project. 2020.
"Materials Data on KNa2CuO2 by Materials Project". United States. doi:https://doi.org/10.17188/1266992. https://www.osti.gov/servlets/purl/1266992. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1266992,
title = {Materials Data on KNa2CuO2 by Materials Project},
author = {The Materials Project},
abstractNote = {KNa2CuO2 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. K1+ is bonded in a distorted single-bond geometry to one O2- atom. The K–O bond length is 2.82 Å. Na1+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are two shorter (2.28 Å) and two longer (2.51 Å) Na–O bond lengths. Cu1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.81 Å) and one longer (1.82 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Na1+ and one Cu1+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one K1+, four equivalent Na1+, and one Cu1+ atom.},
doi = {10.17188/1266992},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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