U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na4CO4 by Materials Project
Abstract
Na4CO4 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.43–2.70 Å. In the second Na1+ site, Na1+ is bonded in a 1-coordinate geometry to one O2- atom. The Na–O bond length is 2.31 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.31 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Na1+ and one C4+ atom. In the second O2- site, O2- is bonded to seven Na1+ atoms to form distorted corner-sharing ONa7 pentagonal bipyramids.
- Publication Date:
- Other Number(s):
- mp-552941
- 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; crystal structure; Na4CO4
- OSTI Identifier:
- 1267589
- DOI:
- https://doi.org/10.17188/1267589
Citation Formats
Materials Data on Na4CO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267589.
Materials Data on Na4CO4 by Materials Project. United States. doi:https://doi.org/10.17188/1267589
2020.
"Materials Data on Na4CO4 by Materials Project". United States. doi:https://doi.org/10.17188/1267589. https://www.osti.gov/servlets/purl/1267589. Pub date:Fri May 01 20:00:00 EDT 2020
@article{osti_1267589,
title = {Materials Data on Na4CO4 by Materials Project},
abstractNote = {Na4CO4 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.43–2.70 Å. In the second Na1+ site, Na1+ is bonded in a 1-coordinate geometry to one O2- atom. The Na–O bond length is 2.31 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.31 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Na1+ and one C4+ atom. In the second O2- site, O2- is bonded to seven Na1+ atoms to form distorted corner-sharing ONa7 pentagonal bipyramids.},
doi = {10.17188/1267589},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}