U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na6S2ClO8F by Materials Project
Abstract
Na6(SO4)2FCl crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to four equivalent O2-, one Cl1-, and one F1- atom. All Na–O bond lengths are 2.46 Å. The Na–Cl bond length is 2.82 Å. The Na–F bond length is 2.27 Å. S6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All S–O bond lengths are 1.49 Å. O2- is bonded in a 1-coordinate geometry to three equivalent Na1+ and one S6+ atom. Cl1- is bonded to six equivalent Na1+ atoms to form ClNa6 octahedra that share corners with six equivalent FNa6 octahedra. The corner-sharing octahedral tilt angles are 0°. F1- is bonded to six equivalent Na1+ atoms to form FNa6 octahedra that share corners with six equivalent ClNa6 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-23657
- 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; Cl-F-Na-O-S; Na6S2ClO8F; crystal structure
- OSTI Identifier:
- 1199644
- DOI:
- https://doi.org/10.17188/1199644
Citation Formats
Materials Data on Na6S2ClO8F by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199644.
Materials Data on Na6S2ClO8F by Materials Project. United States. doi:https://doi.org/10.17188/1199644
2020.
"Materials Data on Na6S2ClO8F by Materials Project". United States. doi:https://doi.org/10.17188/1199644. https://www.osti.gov/servlets/purl/1199644. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1199644,
title = {Materials Data on Na6S2ClO8F by Materials Project},
abstractNote = {Na6(SO4)2FCl crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to four equivalent O2-, one Cl1-, and one F1- atom. All Na–O bond lengths are 2.46 Å. The Na–Cl bond length is 2.82 Å. The Na–F bond length is 2.27 Å. S6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All S–O bond lengths are 1.49 Å. O2- is bonded in a 1-coordinate geometry to three equivalent Na1+ and one S6+ atom. Cl1- is bonded to six equivalent Na1+ atoms to form ClNa6 octahedra that share corners with six equivalent FNa6 octahedra. The corner-sharing octahedral tilt angles are 0°. F1- is bonded to six equivalent Na1+ atoms to form FNa6 octahedra that share corners with six equivalent ClNa6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1199644},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}