U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na4CO4 by Materials Project
Abstract
Na4CO4 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first 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 2.22–2.59 Å. In the second 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 2.23–2.54 Å. In the third Na1+ site, Na1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (2.22 Å) and one longer (2.44 Å) Na–O bond lengths. C4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.44 Å) and two longer (1.47 Å) C–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Na1+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four Na1+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five Na1+ and one C4+ atom.
- Publication Date:
- Other Number(s):
- mp-645295
- 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-Na-O; Na4CO4; crystal structure
- OSTI Identifier:
- 1280523
- DOI:
- https://doi.org/10.17188/1280523
Citation Formats
Materials Data on Na4CO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1280523.
Materials Data on Na4CO4 by Materials Project. United States. doi:https://doi.org/10.17188/1280523
2020.
"Materials Data on Na4CO4 by Materials Project". United States. doi:https://doi.org/10.17188/1280523. https://www.osti.gov/servlets/purl/1280523. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1280523,
title = {Materials Data on Na4CO4 by Materials Project},
abstractNote = {Na4CO4 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first 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 2.22–2.59 Å. In the second 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 2.23–2.54 Å. In the third Na1+ site, Na1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (2.22 Å) and one longer (2.44 Å) Na–O bond lengths. C4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.44 Å) and two longer (1.47 Å) C–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Na1+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four Na1+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five Na1+ and one C4+ atom.},
doi = {10.17188/1280523},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}