Materials Data on Na3SO4F by Materials Project
Abstract
Na3SO4F crystallizes in the trigonal R3m space group. The structure is three-dimensional and consists of three hydrofluoric acid molecules and one Na3SO4 framework. In the Na3SO4 framework, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.37 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.49 Å) and three longer (1.50 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Na1+ and one S6+ atom to form a mixture of corner and edge-sharing ONa3S trigonal pyramids. In the second O2- site, O2- is bonded to three equivalent Na1+ and one S6+ atom to form a mixture of corner and edge-sharing ONa3S trigonal pyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-547029
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Na3SO4F; F-Na-O-S
- OSTI Identifier:
- 1267265
- DOI:
- https://doi.org/10.17188/1267265
Citation Formats
The Materials Project. Materials Data on Na3SO4F by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267265.
The Materials Project. Materials Data on Na3SO4F by Materials Project. United States. doi:https://doi.org/10.17188/1267265
The Materials Project. 2020.
"Materials Data on Na3SO4F by Materials Project". United States. doi:https://doi.org/10.17188/1267265. https://www.osti.gov/servlets/purl/1267265. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1267265,
title = {Materials Data on Na3SO4F by Materials Project},
author = {The Materials Project},
abstractNote = {Na3SO4F crystallizes in the trigonal R3m space group. The structure is three-dimensional and consists of three hydrofluoric acid molecules and one Na3SO4 framework. In the Na3SO4 framework, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.37 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.49 Å) and three longer (1.50 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Na1+ and one S6+ atom to form a mixture of corner and edge-sharing ONa3S trigonal pyramids. In the second O2- site, O2- is bonded to three equivalent Na1+ and one S6+ atom to form a mixture of corner and edge-sharing ONa3S trigonal pyramids.},
doi = {10.17188/1267265},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}