Materials Data on BeH8(NF2)2 by Materials Project

doi:10.17188/1200165

Title: Materials Data on BeH8(NF2)2 by Materials Project

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Abstract

(NH4)2BeF4 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of sixteen ammonium molecules and eight BeF4 clusters. In each BeF4 cluster, Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of Be–F bond distances ranging from 1.56–1.59 Å. There are four 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 single-bond geometry to one Be2+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Be2+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Be2+ atom.

Authors:: The Materials Project

Publication Date:: Thu May 28 00:00:00 EDT 2020

Other Number(s):: mp-24614

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; BeH8(NF2)2; Be-F-H-N

OSTI Identifier:: 1200165

DOI:: https://doi.org/10.17188/1200165

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                    The Materials Project. Materials Data on BeH8(NF2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1200165.

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                    The Materials Project. Materials Data on BeH8(NF2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1200165

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                    The Materials Project. 2020.  
"Materials Data on BeH8(NF2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1200165.  https://www.osti.gov/servlets/purl/1200165. Pub date:Thu May 28 00:00:00 EDT 2020

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@article{osti_1200165,

  title        = {Materials Data on BeH8(NF2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(NH4)2BeF4 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of sixteen ammonium molecules and eight BeF4 clusters. In each BeF4 cluster, Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of Be–F bond distances ranging from 1.56–1.59 Å. There are four 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 single-bond geometry to one Be2+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Be2+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Be2+ atom.},

  doi          = {10.17188/1200165},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu May 28 00:00:00 EDT 2020},

  month        = {Thu May 28 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1200165

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