U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs4CO4 by Materials Project
Abstract
Cs4CO4 is alpha Po structured and crystallizes in the trigonal R3 space group. The structure is zero-dimensional and consists of three Cs4CO4 clusters. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Cs–O bond distances ranging from 2.75–2.85 Å. In the second Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to three equivalent O2- atoms. All Cs–O bond lengths are 2.80 Å. C4+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.44 Å) and one longer (1.45 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to three Cs1+ and one C4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one C4+ atom.
- Publication Date:
- Other Number(s):
- mp-562815
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; C-Cs-O; Cs4CO4; crystal structure
- OSTI Identifier:
- 1272390
- DOI:
- https://doi.org/10.17188/1272390
Citation Formats
Materials Data on Cs4CO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1272390.
Materials Data on Cs4CO4 by Materials Project. United States. doi:https://doi.org/10.17188/1272390
2020.
"Materials Data on Cs4CO4 by Materials Project". United States. doi:https://doi.org/10.17188/1272390. https://www.osti.gov/servlets/purl/1272390. Pub date:Wed Jul 22 04:00:00 UTC 2020
@article{osti_1272390,
title = {Materials Data on Cs4CO4 by Materials Project},
abstractNote = {Cs4CO4 is alpha Po structured and crystallizes in the trigonal R3 space group. The structure is zero-dimensional and consists of three Cs4CO4 clusters. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Cs–O bond distances ranging from 2.75–2.85 Å. In the second Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to three equivalent O2- atoms. All Cs–O bond lengths are 2.80 Å. C4+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.44 Å) and one longer (1.45 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to three Cs1+ and one C4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one C4+ atom.},
doi = {10.17188/1272390},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}