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Title: Materials Data on MgH12(SO6)2 by Materials Project

Abstract

MgO6(H2)2(H2O)4(SO)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two dihydrogen molecules, two sulfur monoxide molecules, four water molecules, and one MgO6 cluster. In the MgO6 cluster, Mg2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. All Mg–O bond lengths are 2.04 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in an L-shaped geometry to one Mg2+ and one O2- atom. The O–O bond length is 1.40 Å. In the second O2- site, O2- is bonded in a water-like geometry to two O2- atoms. The O–O bond length is 1.36 Å. In the third O2- site, O2- is bonded in an L-shaped geometry to one Mg2+ and one O2- atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-721342
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; MgH12(SO6)2; H-Mg-O-S
OSTI Identifier:
1287360
DOI:
10.17188/1287360

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on MgH12(SO6)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287360.
Persson, Kristin, & Project, Materials. Materials Data on MgH12(SO6)2 by Materials Project. United States. doi:10.17188/1287360.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on MgH12(SO6)2 by Materials Project". United States. doi:10.17188/1287360. https://www.osti.gov/servlets/purl/1287360. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1287360,
title = {Materials Data on MgH12(SO6)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {MgO6(H2)2(H2O)4(SO)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two dihydrogen molecules, two sulfur monoxide molecules, four water molecules, and one MgO6 cluster. In the MgO6 cluster, Mg2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. All Mg–O bond lengths are 2.04 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in an L-shaped geometry to one Mg2+ and one O2- atom. The O–O bond length is 1.40 Å. In the second O2- site, O2- is bonded in a water-like geometry to two O2- atoms. The O–O bond length is 1.36 Å. In the third O2- site, O2- is bonded in an L-shaped geometry to one Mg2+ and one O2- atom.},
doi = {10.17188/1287360},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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