Materials Data on BiF5 by Materials Project

doi:10.17188/1318901

Title: Materials Data on BiF5 by Materials Project

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Abstract

BiF5 crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two BiF5 sheets oriented in the (0, 0, 1) direction. Bi5+ is bonded to eight F1- atoms to form a mixture of edge and corner-sharing BiF8 hexagonal bipyramids. There are a spread of Bi–F bond distances ranging from 2.02–2.38 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Bi5+ atoms. 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 distorted linear geometry to two equivalent Bi5+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mvc-13496

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; BiF5; Bi-F

OSTI Identifier:: 1318901

DOI:: https://doi.org/10.17188/1318901

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                    The Materials Project. Materials Data on BiF5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1318901.

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                    The Materials Project. Materials Data on BiF5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1318901

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                    The Materials Project. 2020.  
"Materials Data on BiF5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1318901.  https://www.osti.gov/servlets/purl/1318901. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1318901,

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

  author       = {The Materials Project},

  abstractNote = {BiF5 crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two BiF5 sheets oriented in the (0, 0, 1) direction. Bi5+ is bonded to eight F1- atoms to form a mixture of edge and corner-sharing BiF8 hexagonal bipyramids. There are a spread of Bi–F bond distances ranging from 2.02–2.38 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Bi5+ atoms. 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 distorted linear geometry to two equivalent Bi5+ atoms.},

  doi          = {10.17188/1318901},

  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/10.17188/1318901

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