Materials Data on CuH4(OF)2 by Materials Project

doi:10.17188/1199733

Title: Materials Data on CuH4(OF)2 by Materials Project

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Abstract

CuH4(OF)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cu2+ is bonded to two equivalent O2- and four equivalent F1- atoms to form distorted edge-sharing CuO2F4 octahedra. Both Cu–O bond lengths are 1.92 Å. There are two shorter (1.95 Å) and two longer (2.66 Å) Cu–F bond lengths. H1+ is bonded in a distorted single-bond geometry to one O2- and one F1- atom. The H–O bond length is 0.99 Å. The H–F bond length is 1.62 Å. O2- is bonded in a distorted trigonal planar geometry to one Cu2+ and two equivalent H1+ atoms. F1- is bonded in a 1-coordinate geometry to two equivalent Cu2+ and two equivalent H1+ atoms.

Publication Date:: 2020-07-15

Other Number(s):: mp-23795

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cu-F-H-O; CuH4(OF)2; crystal structure

OSTI Identifier:: 1199733

DOI:: https://doi.org/10.17188/1199733

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                    Materials Data on CuH4(OF)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199733.

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                    Materials Data on CuH4(OF)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199733

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                    2020.  
"Materials Data on CuH4(OF)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199733.  https://www.osti.gov/servlets/purl/1199733. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1199733,

  title        = {Materials Data on CuH4(OF)2 by Materials Project},

  
  abstractNote = {CuH4(OF)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cu2+ is bonded to two equivalent O2- and four equivalent F1- atoms to form distorted edge-sharing CuO2F4 octahedra. Both Cu–O bond lengths are 1.92 Å. There are two shorter (1.95 Å) and two longer (2.66 Å) Cu–F bond lengths. H1+ is bonded in a distorted single-bond geometry to one O2- and one F1- atom. The H–O bond length is 0.99 Å. The H–F bond length is 1.62 Å. O2- is bonded in a distorted trigonal planar geometry to one Cu2+ and two equivalent H1+ atoms. F1- is bonded in a 1-coordinate geometry to two equivalent Cu2+ and two equivalent H1+ atoms.},

  doi          = {10.17188/1199733},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199733

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