Materials Data on SbHC3(NCl3)3 by Materials Project

doi:10.17188/1285979

Title: Materials Data on SbHC3(NCl3)3 by Materials Project

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Abstract

C3H(NCl)3SbCl6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four schembl11997375 molecules and four 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 2.38–2.48 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.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

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)

Contributing Org.:: MIT; UC Berkeley; Duke; U Louvain

OSTI Identifier:: 1285979

Report Number(s):: mp-705514

DOE Contract Number:: AC02-05CH11231; EDCBEE

Resource Type:: Data

Resource Relation:: Related Information: https://materialsproject.org/citing

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; crystal structure; SbHC3(NCl3)3; C-Cl-H-N-Sb

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                    The Materials Project. Materials Data on SbHC3(NCl3)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1285979.

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                    The Materials Project. Materials Data on SbHC3(NCl3)3 by Materials Project.  United States.  https://doi.org/10.17188/1285979

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                    The Materials Project. 2020.  
        "Materials Data on SbHC3(NCl3)3 by Materials Project".  United States.  https://doi.org/10.17188/1285979.  https://www.osti.gov/servlets/purl/1285979.

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@article{osti_1285979,

  title        = {Materials Data on SbHC3(NCl3)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {C3H(NCl)3SbCl6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four schembl11997375 molecules and four 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 2.38–2.48 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          = {10.17188/1285979},

  url          = {https://www.osti.gov/biblio/1285979},
  journal      = {},
number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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