Materials Data on BeF2 by Materials Project

doi:10.17188/1283944

Title: Materials Data on BeF2 by Materials Project

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Abstract

BeF2 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one BeF2 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded in a trigonal planar geometry to three F1- atoms. There are a spread of Be–F bond distances ranging from 1.41–1.54 Å. In the second Be2+ site, Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There is two shorter (1.56 Å) and two longer (1.57 Å) Be–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Be2+ atom. In the second F1- site, F1- is bonded in a linear geometry to two Be2+ atoms. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Be2+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-684652

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; BeF2; Be-F

OSTI Identifier:: 1283944

DOI:: https://doi.org/10.17188/1283944

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                    The Materials Project. Materials Data on BeF2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1283944.

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                    The Materials Project. Materials Data on BeF2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1283944

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                    The Materials Project. 2020.  
"Materials Data on BeF2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1283944.  https://www.osti.gov/servlets/purl/1283944. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1283944,

  title        = {Materials Data on BeF2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BeF2 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one BeF2 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded in a trigonal planar geometry to three F1- atoms. There are a spread of Be–F bond distances ranging from 1.41–1.54 Å. In the second Be2+ site, Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There is two shorter (1.56 Å) and two longer (1.57 Å) Be–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Be2+ atom. In the second F1- site, F1- is bonded in a linear geometry to two Be2+ atoms. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Be2+ atoms.},

  doi          = {10.17188/1283944},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1283944

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