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Title: 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.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1264843
Report Number(s):
mp-540866
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Na6Mg2C4SO16; C-Mg-Na-O-S

Citation Formats

The Materials Project. Materials Data on Na6Mg2C4SO16 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1264843.
The Materials Project. Materials Data on Na6Mg2C4SO16 by Materials Project. United States. https://doi.org/10.17188/1264843
The Materials Project. Wed . "Materials Data on Na6Mg2C4SO16 by Materials Project". United States. https://doi.org/10.17188/1264843. https://www.osti.gov/servlets/purl/1264843.
@article{osti_1264843,
title = {Materials Data on Na6Mg2C4SO16 by Materials Project},
author = {The 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},
url = {https://www.osti.gov/biblio/1264843}, journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}