Materials Data on AsC18F17 by Materials Project

doi:10.17188/1741670

Title: Materials Data on AsC18F17 by Materials Project

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Abstract

C3AsF2(CF)15 crystallizes in the orthorhombic Pbcn space group. The structure is zero-dimensional and consists of sixty fluoromethane molecules and four C3AsF2 clusters. In each C3AsF2 cluster, there are two inequivalent C+1.11+ sites. In the first C+1.11+ site, C+1.11+ is bonded in a single-bond geometry to one As3- atom. The C–As bond length is 1.94 Å. In the second C+1.11+ site, C+1.11+ is bonded in a single-bond geometry to one As3- atom. The C–As bond length is 1.93 Å. As3- is bonded in a trigonal bipyramidal geometry to three C+1.11+ and two equivalent F1- atoms. Both As–F bond lengths are 1.83 Å. F1- is bonded in a single-bond geometry to one As3- atom.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1214907

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; AsC18F17; As-C-F

OSTI Identifier:: 1741670

DOI:: https://doi.org/10.17188/1741670

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                    The Materials Project. Materials Data on AsC18F17 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1741670.

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                    The Materials Project. Materials Data on AsC18F17 by Materials Project.  United States.  doi:https://doi.org/10.17188/1741670

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                    The Materials Project. 2020.  
"Materials Data on AsC18F17 by Materials Project".  United States.  doi:https://doi.org/10.17188/1741670.  https://www.osti.gov/servlets/purl/1741670. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1741670,

  title        = {Materials Data on AsC18F17 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {C3AsF2(CF)15 crystallizes in the orthorhombic Pbcn space group. The structure is zero-dimensional and consists of sixty fluoromethane molecules and four C3AsF2 clusters. In each C3AsF2 cluster, there are two inequivalent C+1.11+ sites. In the first C+1.11+ site, C+1.11+ is bonded in a single-bond geometry to one As3- atom. The C–As bond length is 1.94 Å. In the second C+1.11+ site, C+1.11+ is bonded in a single-bond geometry to one As3- atom. The C–As bond length is 1.93 Å. As3- is bonded in a trigonal bipyramidal geometry to three C+1.11+ and two equivalent F1- atoms. Both As–F bond lengths are 1.83 Å. F1- is bonded in a single-bond geometry to one As3- atom.},

  doi          = {10.17188/1741670},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1741670

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