Materials Data on CuClF10 by Materials Project

doi:10.17188/1203648

Title: Materials Data on CuClF10 by Materials Project

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Abstract

CuF4ClF6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two ClF6 clusters and two CuF4 clusters. In each ClF6 cluster, Cl is bonded in an octahedral geometry to six F atoms. There is four shorter (1.67 Å) and two longer (1.69 Å) Cl–F bond length. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Cl atom. In the second F site, F is bonded in a single-bond geometry to one Cl atom. In each CuF4 cluster, Cu is bonded in a square co-planar geometry to four equivalent F atoms. All Cu–F bond lengths are 1.75 Å. F is bonded in a single-bond geometry to one Cu atom.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-29279

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; CuClF10; Cl-Cu-F

OSTI Identifier:: 1203648

DOI:: https://doi.org/10.17188/1203648

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                    The Materials Project. Materials Data on CuClF10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203648.

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                    The Materials Project. Materials Data on CuClF10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203648

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                    The Materials Project. 2020.  
"Materials Data on CuClF10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203648.  https://www.osti.gov/servlets/purl/1203648. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1203648,

  title        = {Materials Data on CuClF10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CuF4ClF6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two ClF6 clusters and two CuF4 clusters. In each ClF6 cluster, Cl is bonded in an octahedral geometry to six F atoms. There is four shorter (1.67 Å) and two longer (1.69 Å) Cl–F bond length. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Cl atom. In the second F site, F is bonded in a single-bond geometry to one Cl atom. In each CuF4 cluster, Cu is bonded in a square co-planar geometry to four equivalent F atoms. All Cu–F bond lengths are 1.75 Å. F is bonded in a single-bond geometry to one Cu atom.},

  doi          = {10.17188/1203648},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1203648

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