Materials Data on CrF5 by Materials Project

doi:10.17188/1279845

Title: Materials Data on CrF5 by Materials Project

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Abstract

CrF5 crystallizes in the orthorhombic Pbcm space group. The structure is one-dimensional and consists of two CrF5 ribbons oriented in the (1, 0, 0) direction. Cr5+ is bonded to six F1- atoms to form corner-sharing CrF6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are a spread of Cr–F bond distances ranging from 1.73–1.98 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Cr5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Cr5+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Cr5+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Cr5+ atom.

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-639662

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; Cr-F; CrF5; crystal structure

OSTI Identifier:: 1279845

DOI:: https://doi.org/10.17188/1279845

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                    Materials Data on CrF5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279845.

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                    Materials Data on CrF5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1279845

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                    2020.  
"Materials Data on CrF5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1279845.  https://www.osti.gov/servlets/purl/1279845. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1279845,

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

  
  abstractNote = {CrF5 crystallizes in the orthorhombic Pbcm space group. The structure is one-dimensional and consists of two CrF5 ribbons oriented in the (1, 0, 0) direction. Cr5+ is bonded to six F1- atoms to form corner-sharing CrF6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are a spread of Cr–F bond distances ranging from 1.73–1.98 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Cr5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Cr5+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Cr5+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Cr5+ atom.},

  doi          = {10.17188/1279845},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1279845

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