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Title: Materials Data on MgSO3 by Materials Project

Abstract

MgSO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.09–2.50 Å. S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.54–1.56 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Mg2+ and one S4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one S4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Mg2+ and one S4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-769347
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; MgSO3; Mg-O-S
OSTI Identifier:
1298723
DOI:
10.17188/1298723

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on MgSO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298723.
Persson, Kristin, & Project, Materials. Materials Data on MgSO3 by Materials Project. United States. doi:10.17188/1298723.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on MgSO3 by Materials Project". United States. doi:10.17188/1298723. https://www.osti.gov/servlets/purl/1298723. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1298723,
title = {Materials Data on MgSO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {MgSO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.09–2.50 Å. S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.54–1.56 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Mg2+ and one S4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one S4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Mg2+ and one S4+ atom.},
doi = {10.17188/1298723},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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