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Title: Materials Data on GeH12N3F7 by Materials Project

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.

Publication Date:
Other Number(s):
mp-1194876
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; GeH12N3F7; F-Ge-H-N
OSTI Identifier:
1651683
DOI:
https://doi.org/10.17188/1651683

Citation Formats

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