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Title: Materials Data on MgSb2(H4O3)6 by Materials Project

Abstract

Mg(H2O)6(Sb(HO)6)2 crystallizes in the trigonal P3 space group. The structure is zero-dimensional and consists of six magnesium;hexahydrate molecules and twelve Sb(HO)6 clusters. In each Sb(HO)6 cluster, Sb5+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.00 Å) and three longer (2.02 Å) Sb–O bond lengths. There are two 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. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Sb5+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sb5+ and one H1+ atom.

Publication Date:
Other Number(s):
mp-24696
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; MgSb2(H4O3)6; H-Mg-O-Sb
OSTI Identifier:
1200197
DOI:
https://doi.org/10.17188/1200197

Citation Formats

The Materials Project. Materials Data on MgSb2(H4O3)6 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1200197.
The Materials Project. Materials Data on MgSb2(H4O3)6 by Materials Project. United States. doi:https://doi.org/10.17188/1200197
The Materials Project. 2014. "Materials Data on MgSb2(H4O3)6 by Materials Project". United States. doi:https://doi.org/10.17188/1200197. https://www.osti.gov/servlets/purl/1200197. Pub date:Wed Feb 19 00:00:00 EST 2014
@article{osti_1200197,
title = {Materials Data on MgSb2(H4O3)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg(H2O)6(Sb(HO)6)2 crystallizes in the trigonal P3 space group. The structure is zero-dimensional and consists of six magnesium;hexahydrate molecules and twelve Sb(HO)6 clusters. In each Sb(HO)6 cluster, Sb5+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.00 Å) and three longer (2.02 Å) Sb–O bond lengths. There are two 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. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Sb5+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sb5+ and one H1+ atom.},
doi = {10.17188/1200197},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}