Materials Data on BiF5 by Materials Project

doi:10.17188/1320604

Title: Materials Data on BiF5 by Materials Project

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Abstract

BiF5 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two BiF5 ribbons oriented in the (0, 0, 1) direction. Bi5+ is bonded to six F1- atoms to form corner-sharing BiF6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of Bi–F bond distances ranging from 2.00–2.18 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Bi5+ atoms.

Publication Date:: 2020-05-02

Other Number(s):: mvc-3518

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; Bi-F; BiF5; crystal structure

OSTI Identifier:: 1320604

DOI:: https://doi.org/10.17188/1320604

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                    Materials Data on BiF5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1320604.

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                    Materials Data on BiF5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1320604

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                    2020.  
"Materials Data on BiF5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1320604.  https://www.osti.gov/servlets/purl/1320604. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1320604,

  title        = {Materials Data on BiF5 by Materials Project},

  
  abstractNote = {BiF5 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two BiF5 ribbons oriented in the (0, 0, 1) direction. Bi5+ is bonded to six F1- atoms to form corner-sharing BiF6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of Bi–F bond distances ranging from 2.00–2.18 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Bi5+ atoms.},

  doi          = {10.17188/1320604},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1320604

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