Materials Data on YBeNF6 by Materials Project

doi:10.17188/1738348

Title: Materials Data on YBeNF6 by Materials Project

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Abstract

BeYNF6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of Be–F bond distances ranging from 1.55–1.57 Å. Y3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Y–F bond distances ranging from 2.17–2.47 Å. N1+ is bonded in an L-shaped geometry to two equivalent F1- atoms. Both N–F bond lengths are 1.85 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to one Be2+ and one Y3+ atom. In the second F1- site, F1- is bonded in a distorted linear geometry to one Be2+ and one Y3+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one N1+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Be2+ and one Y3+ atom.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1207645

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; YBeNF6; Be-F-N-Y

OSTI Identifier:: 1738348

DOI:: https://doi.org/10.17188/1738348

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                    The Materials Project. Materials Data on YBeNF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738348.

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                    The Materials Project. Materials Data on YBeNF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1738348

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                    The Materials Project. 2020.  
"Materials Data on YBeNF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1738348.  https://www.osti.gov/servlets/purl/1738348. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1738348,

  title        = {Materials Data on YBeNF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BeYNF6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of Be–F bond distances ranging from 1.55–1.57 Å. Y3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Y–F bond distances ranging from 2.17–2.47 Å. N1+ is bonded in an L-shaped geometry to two equivalent F1- atoms. Both N–F bond lengths are 1.85 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to one Be2+ and one Y3+ atom. In the second F1- site, F1- is bonded in a distorted linear geometry to one Be2+ and one Y3+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one N1+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Be2+ and one Y3+ atom.},

  doi          = {10.17188/1738348},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1738348

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