Materials Data on CrF5 by Materials Project

doi:10.17188/1319104

Title: Materials Data on CrF5 by Materials Project

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Abstract

CrF5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Cr5+ is bonded to six F1- atoms to form edge-sharing CrF6 octahedra. There is two shorter (1.77 Å) and four longer (1.94 Å) Cr–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a water-like geometry to two equivalent Cr5+ and two equivalent F1- atoms. Both F–F bond lengths are 3.01 Å. In the second F1- site, F1- is bonded in a single-bond geometry to one Cr5+ and two equivalent F1- atoms. Both F–F bond lengths are 2.79 Å. In the third F1- site, F1- is bonded in a 10-coordinate geometry to ten F1- atoms. Both F–F bond lengths are 3.03 Å.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mvc-14314

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; CrF5; Cr-F

OSTI Identifier:: 1319104

DOI:: https://doi.org/10.17188/1319104

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                    The Materials Project. Materials Data on CrF5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1319104.

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                    The Materials Project. Materials Data on CrF5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1319104

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                    The Materials Project. 2020.  
"Materials Data on CrF5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1319104.  https://www.osti.gov/servlets/purl/1319104. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1319104,

  title        = {Materials Data on CrF5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CrF5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Cr5+ is bonded to six F1- atoms to form edge-sharing CrF6 octahedra. There is two shorter (1.77 Å) and four longer (1.94 Å) Cr–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a water-like geometry to two equivalent Cr5+ and two equivalent F1- atoms. Both F–F bond lengths are 3.01 Å. In the second F1- site, F1- is bonded in a single-bond geometry to one Cr5+ and two equivalent F1- atoms. Both F–F bond lengths are 2.79 Å. In the third F1- site, F1- is bonded in a 10-coordinate geometry to ten F1- atoms. Both F–F bond lengths are 3.03 Å.},

  doi          = {10.17188/1319104},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1319104

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