Materials Data on GeH12N3F7 by Materials Project

doi:10.17188/1651683

Title: Materials Data on GeH12N3F7 by Materials Project

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Abstract

(NH4)3GeF7 crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight GeF6 clusters and eight N3H12F clusters. In each GeF6 cluster, Ge4+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Ge–F bond lengths are 1.84 Å. F1- is bonded in a single-bond geometry to one Ge4+ atom. In each N3H12F cluster, N3- is bonded in a tetrahedral geometry to four H1+ atoms. There are a spread of N–H bond distances ranging from 1.03–1.07 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted linear geometry to one N3- and one F1- atom. The H–F bond length is 1.57 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. F1- is bonded in a trigonal non-coplanar geometry to three equivalent H1+ atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1194876

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; GeH12N3F7; F-Ge-H-N

OSTI Identifier:: 1651683

DOI:: https://doi.org/10.17188/1651683

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                    The Materials Project. Materials Data on GeH12N3F7 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1651683.

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                    The Materials Project. Materials Data on GeH12N3F7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1651683

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                    The Materials Project. 2019.  
"Materials Data on GeH12N3F7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1651683.  https://www.osti.gov/servlets/purl/1651683. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1651683,

  title        = {Materials Data on GeH12N3F7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(NH4)3GeF7 crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight GeF6 clusters and eight N3H12F clusters. In each GeF6 cluster, Ge4+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Ge–F bond lengths are 1.84 Å. F1- is bonded in a single-bond geometry to one Ge4+ atom. In each N3H12F cluster, N3- is bonded in a tetrahedral geometry to four H1+ atoms. There are a spread of N–H bond distances ranging from 1.03–1.07 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted linear geometry to one N3- and one F1- atom. The H–F bond length is 1.57 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. F1- is bonded in a trigonal non-coplanar geometry to three equivalent H1+ atoms.},

  doi          = {10.17188/1651683},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1651683

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