Materials Data on MgSb2(H4O3)6 by Materials Project

doi:10.17188/1200197

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

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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:: 2014-02-18

Other Number(s):: mp-24696

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; H-Mg-O-Sb; MgSb2(H4O3)6; crystal structure

OSTI Identifier:: 1200197

DOI:: https://doi.org/10.17188/1200197

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                    Materials Data on MgSb2(H4O3)6 by Materials Project.  United States: N. p., 2014. 
        Web.  doi:10.17188/1200197.

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                    Materials Data on MgSb2(H4O3)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1200197

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                    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:Tue Feb 18 23:00:00 EST 2014

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@article{osti_1200197,

  title        = {Materials Data on MgSb2(H4O3)6 by 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}

}

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DOI: https://doi.org/10.17188/1200197

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