Materials Data on AsIF12 by Materials Project

doi:10.17188/1268760

Title: Materials Data on AsIF12 by Materials Project

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Abstract

AsF6IF6 is Halite, Rock Salt structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of four AsF6 clusters and four IF6 clusters. In each AsF6 cluster, As is bonded in an octahedral geometry to six equivalent F atoms. All As–F bond lengths are 1.78 Å. F is bonded in a single-bond geometry to one As atom. In each IF6 cluster, I is bonded in an octahedral geometry to six equivalent F atoms. All I–F bond lengths are 1.83 Å. F is bonded in a single-bond geometry to one I atom.

Authors:: The Materials Project

Publication Date:: 2020-05-01

Other Number(s):: mp-555340

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; AsIF12; As-F-I

OSTI Identifier:: 1268760

DOI:: https://doi.org/10.17188/1268760

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                    The Materials Project. Materials Data on AsIF12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1268760.

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                    The Materials Project. Materials Data on AsIF12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1268760

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                    The Materials Project. 2020.  
"Materials Data on AsIF12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1268760.  https://www.osti.gov/servlets/purl/1268760. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1268760,

  title        = {Materials Data on AsIF12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AsF6IF6 is Halite, Rock Salt structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of four AsF6 clusters and four IF6 clusters. In each AsF6 cluster, As is bonded in an octahedral geometry to six equivalent F atoms. All As–F bond lengths are 1.78 Å. F is bonded in a single-bond geometry to one As atom. In each IF6 cluster, I is bonded in an octahedral geometry to six equivalent F atoms. All I–F bond lengths are 1.83 Å. F is bonded in a single-bond geometry to one I atom.},

  doi          = {10.17188/1268760},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1268760

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