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

Title: Materials Data on MgH2(SO4)2 by Materials Project

Abstract

Mg(HSO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two Mg(HSO4)2 ribbons oriented in the (1, 0, 0) direction. Mg2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.03–2.16 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. S6+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.47–2.22 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one H1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Mg2+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mg2+ and one S6+ atom.

Authors:
Publication Date:
Other Number(s):
mp-690765
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; MgH2(SO4)2; H-Mg-O-S
OSTI Identifier:
1284572
DOI:
https://doi.org/10.17188/1284572

Citation Formats

The Materials Project. Materials Data on MgH2(SO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1284572.
The Materials Project. Materials Data on MgH2(SO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1284572
The Materials Project. 2020. "Materials Data on MgH2(SO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1284572. https://www.osti.gov/servlets/purl/1284572. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1284572,
title = {Materials Data on MgH2(SO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg(HSO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two Mg(HSO4)2 ribbons oriented in the (1, 0, 0) direction. Mg2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.03–2.16 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. S6+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.47–2.22 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one H1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Mg2+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mg2+ and one S6+ atom.},
doi = {10.17188/1284572},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}