Materials Data on Eu(BH4)2 by Materials Project

doi:10.17188/1698578

Title: Materials Data on Eu(BH4)2 by Materials Project

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Abstract

Eu(BH4)2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Eu2+ is bonded in a 2-coordinate geometry to ten H+0.50+ atoms. There are a spread of Eu–H bond distances ranging from 2.44–2.69 Å. B3- is bonded in a tetrahedral geometry to four H+0.50+ atoms. All B–H bond lengths are 1.23 Å. There are four inequivalent H+0.50+ sites. In the first H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to two equivalent Eu2+ and one B3- atom. In the second H+0.50+ site, H+0.50+ is bonded in a single-bond geometry to one Eu2+ and one B3- atom. In the third H+0.50+ site, H+0.50+ is bonded in a single-bond geometry to one Eu2+ and one B3- atom. In the fourth H+0.50+ site, H+0.50+ is bonded in a single-bond geometry to one Eu2+ and one B3- atom.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1195232

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; Eu(BH4)2; B-Eu-H

OSTI Identifier:: 1698578

DOI:: https://doi.org/10.17188/1698578

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                    The Materials Project. Materials Data on Eu(BH4)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1698578.

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                    The Materials Project. Materials Data on Eu(BH4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1698578

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                    The Materials Project. 2019.  
"Materials Data on Eu(BH4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1698578.  https://www.osti.gov/servlets/purl/1698578. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1698578,

  title        = {Materials Data on Eu(BH4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Eu(BH4)2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Eu2+ is bonded in a 2-coordinate geometry to ten H+0.50+ atoms. There are a spread of Eu–H bond distances ranging from 2.44–2.69 Å. B3- is bonded in a tetrahedral geometry to four H+0.50+ atoms. All B–H bond lengths are 1.23 Å. There are four inequivalent H+0.50+ sites. In the first H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to two equivalent Eu2+ and one B3- atom. In the second H+0.50+ site, H+0.50+ is bonded in a single-bond geometry to one Eu2+ and one B3- atom. In the third H+0.50+ site, H+0.50+ is bonded in a single-bond geometry to one Eu2+ and one B3- atom. In the fourth H+0.50+ site, H+0.50+ is bonded in a single-bond geometry to one Eu2+ and one B3- atom.},

  doi          = {10.17188/1698578},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1698578

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