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

Title: Materials Data on Na2MgH32(SO12)2 by Materials Project

Abstract

(Na(H2O)4)2Mg(H2O)6(H2O)2(SO4)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one magnesium;hexahydrate molecule; two sulfuric acid molecules; two water molecules; and one Na(H2O)4 ribbon oriented in the (1, 0, 0) direction. In the Na(H2O)4 ribbon, Na1+ is bonded to six O2- atoms to form distorted edge-sharing NaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.42–2.55 Å. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to onemore » O2- atom. The H–O bond length is 0.99 Å. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one Na1+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Na1+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Na1+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a water-like geometry to one Na1+ and two H1+ atoms.« less

Publication Date:
Other Number(s):
mp-1199634
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; Na2MgH32(SO12)2; H-Mg-Na-O-S
OSTI Identifier:
1752640
DOI:
https://doi.org/10.17188/1752640

Citation Formats

The Materials Project. Materials Data on Na2MgH32(SO12)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1752640.
The Materials Project. Materials Data on Na2MgH32(SO12)2 by Materials Project. United States. doi:https://doi.org/10.17188/1752640
The Materials Project. 2020. "Materials Data on Na2MgH32(SO12)2 by Materials Project". United States. doi:https://doi.org/10.17188/1752640. https://www.osti.gov/servlets/purl/1752640. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1752640,
title = {Materials Data on Na2MgH32(SO12)2 by Materials Project},
author = {The Materials Project},
abstractNote = {(Na(H2O)4)2Mg(H2O)6(H2O)2(SO4)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one magnesium;hexahydrate molecule; two sulfuric acid molecules; two water molecules; and one Na(H2O)4 ribbon oriented in the (1, 0, 0) direction. In the Na(H2O)4 ribbon, Na1+ is bonded to six O2- atoms to form distorted edge-sharing NaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.42–2.55 Å. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one Na1+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Na1+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Na1+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a water-like geometry to one Na1+ and two H1+ atoms.},
doi = {10.17188/1752640},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}