Materials Data on CdB2F8 by Materials Project

doi:10.17188/1269804

Title: Materials Data on CdB2F8 by Materials Project

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Abstract

Cd(BF4)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Cd2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Cd–F bond distances ranging from 2.35–2.44 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a tetrahedral geometry to four F1- atoms. There is one shorter (1.41 Å) and three longer (1.42 Å) B–F bond length. In the second B3+ site, B3+ is bonded in a tetrahedral geometry to four F1- atoms. There is one shorter (1.41 Å) and three longer (1.42 Å) B–F bond length. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Cd2+ and one B3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Cd2+ and one B3+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Cd2+ and one B3+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Cd2+ and one B3+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometrymore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-557364

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; CdB2F8; B-Cd-F

OSTI Identifier:: 1269804

DOI:: https://doi.org/10.17188/1269804

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                    The Materials Project. Materials Data on CdB2F8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269804.

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                    The Materials Project. Materials Data on CdB2F8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269804

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                    The Materials Project. 2020.  
"Materials Data on CdB2F8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269804.  https://www.osti.gov/servlets/purl/1269804. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1269804,

  title        = {Materials Data on CdB2F8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cd(BF4)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Cd2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Cd–F bond distances ranging from 2.35–2.44 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a tetrahedral geometry to four F1- atoms. There is one shorter (1.41 Å) and three longer (1.42 Å) B–F bond length. In the second B3+ site, B3+ is bonded in a tetrahedral geometry to four F1- atoms. There is one shorter (1.41 Å) and three longer (1.42 Å) B–F bond length. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Cd2+ and one B3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Cd2+ and one B3+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Cd2+ and one B3+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Cd2+ and one B3+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Cd2+ and one B3+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to one Cd2+ and one B3+ atom. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to one Cd2+ and one B3+ atom. In the eighth F1- site, F1- is bonded in a distorted single-bond geometry to one Cd2+ and one B3+ atom.},

  doi          = {10.17188/1269804},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1269804

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