skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Na3SO4F by Materials Project

Abstract

Na3SO4F crystallizes in the trigonal R3m space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to four O2- and two equivalent F1- atoms. There are two shorter (2.43 Å) and two longer (2.44 Å) Na–O bond lengths. There are one shorter (2.44 Å) and one longer (2.50 Å) Na–F bond lengths. S6+ is bonded in a tetrahedral geometry to four O2- atoms. All S–O bond lengths are 1.49 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Na1+ and one S6+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Na1+ and one S6+ atom. F1- is bonded to six equivalent Na1+ atoms to form corner-sharing FNa6 octahedra. The corner-sharing octahedral tilt angles are 1°.

Publication Date:
Other Number(s):
mp-1186075
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Na3SO4F; F-Na-O-S
OSTI Identifier:
1666896
DOI:
https://doi.org/10.17188/1666896

Citation Formats

The Materials Project. Materials Data on Na3SO4F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1666896.
The Materials Project. Materials Data on Na3SO4F by Materials Project. United States. doi:https://doi.org/10.17188/1666896
The Materials Project. 2020. "Materials Data on Na3SO4F by Materials Project". United States. doi:https://doi.org/10.17188/1666896. https://www.osti.gov/servlets/purl/1666896. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1666896,
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. Na1+ is bonded in a 6-coordinate geometry to four O2- and two equivalent F1- atoms. There are two shorter (2.43 Å) and two longer (2.44 Å) Na–O bond lengths. There are one shorter (2.44 Å) and one longer (2.50 Å) Na–F bond lengths. S6+ is bonded in a tetrahedral geometry to four O2- atoms. All S–O bond lengths are 1.49 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Na1+ and one S6+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Na1+ and one S6+ atom. F1- is bonded to six equivalent Na1+ atoms to form corner-sharing FNa6 octahedra. The corner-sharing octahedral tilt angles are 1°.},
doi = {10.17188/1666896},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}