Materials Data on SbH5(Cl3O)2 by Materials Project

doi:10.17188/1290941

Title: Materials Data on SbH5(Cl3O)2 by Materials Project

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Abstract

SbCl6H5O2 is Molybdenum Carbide MAX Phase-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two molecular hydrogen;dihydrate molecules and two SbCl6 clusters. In each SbCl6 cluster, Sb5+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.39–2.44 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom.

Publication Date:: 2020-07-15

Other Number(s):: mp-757924

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; Cl-H-O-Sb; SbH5(Cl3O)2; crystal structure

OSTI Identifier:: 1290941

DOI:: https://doi.org/10.17188/1290941

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                    Materials Data on SbH5(Cl3O)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290941.

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                    Materials Data on SbH5(Cl3O)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290941

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                    2020.  
"Materials Data on SbH5(Cl3O)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290941.  https://www.osti.gov/servlets/purl/1290941. Pub date:Wed Jul 15 04:00:00 UTC 2020

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@article{osti_1290941,

  title        = {Materials Data on SbH5(Cl3O)2 by Materials Project},

  
  abstractNote = {SbCl6H5O2 is Molybdenum Carbide MAX Phase-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two molecular hydrogen;dihydrate molecules and two SbCl6 clusters. In each SbCl6 cluster, Sb5+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.39–2.44 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom.},

  doi          = {10.17188/1290941},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1290941

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