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:
- Publication Date:
- Other Number(s):
- mp-721342
- 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; MgH12(SO6)2; H-Mg-O-S
- OSTI Identifier:
- 1287360
- DOI:
- https://doi.org/10.17188/1287360
Citation Formats
The Materials Project. Materials Data on MgH12(SO6)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1287360.
The Materials Project. Materials Data on MgH12(SO6)2 by Materials Project. United States. doi:https://doi.org/10.17188/1287360
The Materials Project. 2020.
"Materials Data on MgH12(SO6)2 by Materials Project". United States. doi:https://doi.org/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 = {The Materials Project},
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 = {Mon May 04 00:00:00 EDT 2020},
month = {Mon May 04 00:00:00 EDT 2020}
}
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