Materials Data on GeH12(NF2)4 by Materials Project

doi:10.17188/1286498

Title: Materials Data on GeH12(NF2)4 by Materials Project

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Abstract

(NH)2(NH4)2GeH2F8 crystallizes in the orthorhombic Pccn space group. The structure is zero-dimensional and consists of eight ammonia molecules, eight ammonium molecules, and four GeH2F8 clusters. In each GeH2F8 cluster, Ge4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Ge–F bond distances ranging from 1.80–1.91 Å. H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (0.99 Å) and one longer (1.46 Å) H–F bond length. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ge4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ge4+ atom. In the third F1- site, F1- is bonded in a bent 120 degrees geometry to one Ge4+ and one H1+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one H1+ atom.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-707881

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; GeH12(NF2)4; F-Ge-H-N

OSTI Identifier:: 1286498

DOI:: https://doi.org/10.17188/1286498

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                    The Materials Project. Materials Data on GeH12(NF2)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1286498.

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                    The Materials Project. Materials Data on GeH12(NF2)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1286498

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                    The Materials Project. 2020.  
"Materials Data on GeH12(NF2)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1286498.  https://www.osti.gov/servlets/purl/1286498. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1286498,

  title        = {Materials Data on GeH12(NF2)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(NH)2(NH4)2GeH2F8 crystallizes in the orthorhombic Pccn space group. The structure is zero-dimensional and consists of eight ammonia molecules, eight ammonium molecules, and four GeH2F8 clusters. In each GeH2F8 cluster, Ge4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Ge–F bond distances ranging from 1.80–1.91 Å. H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (0.99 Å) and one longer (1.46 Å) H–F bond length. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ge4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ge4+ atom. In the third F1- site, F1- is bonded in a bent 120 degrees geometry to one Ge4+ and one H1+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one H1+ atom.},

  doi          = {10.17188/1286498},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1286498

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