Materials Data on Sb2XeF12 by Materials Project

doi:10.17188/1654391

Title: Materials Data on Sb2XeF12 by Materials Project

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Abstract

XeSb2F12 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two XeSb2F12 clusters. Xe is bonded in a linear geometry to two F atoms. There are one shorter (1.98 Å) and one longer (2.31 Å) Xe–F bond lengths. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sb–F bond distances ranging from 1.88–2.04 Å. In the second Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sb–F bond distances ranging from 1.89–2.13 Å. There are twelve inequivalent F sites. In the first F site, F is bonded in a bent 150 degrees geometry to two Sb atoms. In the second F site, F is bonded in a single-bond geometry to one Sb atom. In the third F site, F is bonded in a single-bond geometry to one Sb atom. In the fourth F site, F is bonded in a single-bond geometry to one Sb atom. In the fifth F site, F ismore »« less

Authors:: The Materials Project

Publication Date:: Fri Jan 11 00:00:00 EST 2019

Other Number(s):: mp-1193829

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; Sb2XeF12; F-Sb-Xe

OSTI Identifier:: 1654391

DOI:: https://doi.org/10.17188/1654391

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                    The Materials Project. Materials Data on Sb2XeF12 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1654391.

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                    The Materials Project. Materials Data on Sb2XeF12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1654391

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                    The Materials Project. 2019.  
"Materials Data on Sb2XeF12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1654391.  https://www.osti.gov/servlets/purl/1654391. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1654391,

  title        = {Materials Data on Sb2XeF12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {XeSb2F12 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two XeSb2F12 clusters. Xe is bonded in a linear geometry to two F atoms. There are one shorter (1.98 Å) and one longer (2.31 Å) Xe–F bond lengths. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sb–F bond distances ranging from 1.88–2.04 Å. In the second Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sb–F bond distances ranging from 1.89–2.13 Å. There are twelve inequivalent F sites. In the first F site, F is bonded in a bent 150 degrees geometry to two Sb atoms. In the second F site, F is bonded in a single-bond geometry to one Sb atom. In the third F site, F is bonded in a single-bond geometry to one Sb atom. In the fourth F site, F is bonded in a single-bond geometry to one Sb atom. In the fifth F site, F is bonded in a single-bond geometry to one Xe atom. In the sixth F site, F is bonded in a single-bond geometry to one Sb atom. In the seventh F site, F is bonded in a single-bond geometry to one Sb atom. In the eighth F site, F is bonded in a single-bond geometry to one Sb atom. In the ninth F site, F is bonded in a single-bond geometry to one Sb atom. In the tenth F site, F is bonded in a single-bond geometry to one Sb atom. In the eleventh F site, F is bonded in a bent 150 degrees geometry to one Xe and one Sb atom. In the twelfth F site, F is bonded in a single-bond geometry to one Sb atom.},

  doi          = {10.17188/1654391},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jan 11 00:00:00 EST 2019},

  month        = {Fri Jan 11 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1654391

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