Materials Data on TaF5 by Materials Project

doi:10.17188/1318982

Title: Materials Data on TaF5 by Materials Project

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Abstract

TaF5 crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two TaF5 sheets oriented in the (0, 0, 1) direction. Ta5+ is bonded to eight F1- atoms to form a mixture of corner and edge-sharing TaF8 hexagonal bipyramids. There are a spread of Ta–F bond distances ranging from 1.87–2.22 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Ta5+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Ta5+ atom. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Ta5+ atoms.

Publication Date:: 2020-07-23

Other Number(s):: mvc-13836

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; F-Ta; TaF5; crystal structure

OSTI Identifier:: 1318982

DOI:: https://doi.org/10.17188/1318982

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                    Materials Data on TaF5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1318982.

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                    Materials Data on TaF5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1318982

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                    2020.  
"Materials Data on TaF5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1318982.  https://www.osti.gov/servlets/purl/1318982. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1318982,

  title        = {Materials Data on TaF5 by Materials Project},

  
  abstractNote = {TaF5 crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two TaF5 sheets oriented in the (0, 0, 1) direction. Ta5+ is bonded to eight F1- atoms to form a mixture of corner and edge-sharing TaF8 hexagonal bipyramids. There are a spread of Ta–F bond distances ranging from 1.87–2.22 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Ta5+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Ta5+ atom. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Ta5+ atoms.},

  doi          = {10.17188/1318982},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1318982

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