Materials Data on SbI3Cl8 by Materials Project

doi:10.17188/1199575

Title: Materials Data on SbI3Cl8 by Materials Project

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Abstract

Sb(ICl4)2I is alpha Niobium phosphide-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one hydriodic acid molecule and one Sb(ICl4)2 cluster. In the Sb(ICl4)2 cluster, Sb5+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.38–2.51 Å. I1+ is bonded in a linear geometry to two Cl1- atoms. There are one shorter (2.39 Å) and one longer (2.82 Å) I–Cl bond lengths. There are four 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 I1+ atom. In the third Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Sb5+ and one I1+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-23536

DOE Contract Number:: AC02-05CH11231; EDCBEE

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)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; SbI3Cl8; Cl-I-Sb

OSTI Identifier:: 1199575

DOI:: https://doi.org/10.17188/1199575

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                    The Materials Project. Materials Data on SbI3Cl8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199575.

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                    The Materials Project. Materials Data on SbI3Cl8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199575

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                    The Materials Project. 2020.  
"Materials Data on SbI3Cl8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199575.  https://www.osti.gov/servlets/purl/1199575. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1199575,

  title        = {Materials Data on SbI3Cl8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sb(ICl4)2I is alpha Niobium phosphide-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one hydriodic acid molecule and one Sb(ICl4)2 cluster. In the Sb(ICl4)2 cluster, Sb5+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.38–2.51 Å. I1+ is bonded in a linear geometry to two Cl1- atoms. There are one shorter (2.39 Å) and one longer (2.82 Å) I–Cl bond lengths. There are four 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 I1+ atom. In the third Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Sb5+ and one I1+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom.},

  doi          = {10.17188/1199575},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1199575

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