U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na6Mg2C4SO16 by Materials Project
Abstract
Na6Mg2C4SO16 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.38–2.81 Å. Mg2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Mg–O bond lengths are 2.07 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.29 Å. S6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All S–O bond lengths are 1.50 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Na1+ and one S6+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Na1+, one Mg2+, and one C4+ atom.
- Publication Date:
- Other Number(s):
- mp-540866
- 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-Mg-Na-O-S; Na6Mg2C4SO16; crystal structure
- OSTI Identifier:
- 1264843
- DOI:
- https://doi.org/10.17188/1264843
Citation Formats
Materials Data on Na6Mg2C4SO16 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1264843.
Materials Data on Na6Mg2C4SO16 by Materials Project. United States. doi:https://doi.org/10.17188/1264843
2020.
"Materials Data on Na6Mg2C4SO16 by Materials Project". United States. doi:https://doi.org/10.17188/1264843. https://www.osti.gov/servlets/purl/1264843. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1264843,
title = {Materials Data on Na6Mg2C4SO16 by Materials Project},
abstractNote = {Na6Mg2C4SO16 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.38–2.81 Å. Mg2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Mg–O bond lengths are 2.07 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.29 Å. S6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All S–O bond lengths are 1.50 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Na1+ and one S6+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Na1+, one Mg2+, and one C4+ atom.},
doi = {10.17188/1264843},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}