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

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:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-707881
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; GeH12(NF2)4; F-Ge-H-N
OSTI Identifier:
1286498
DOI:
10.17188/1286498

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on GeH12(NF2)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1286498.
Persson, Kristin, & Project, Materials. Materials Data on GeH12(NF2)4 by Materials Project. United States. doi:10.17188/1286498.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on GeH12(NF2)4 by Materials Project". United States. doi:10.17188/1286498. https://www.osti.gov/servlets/purl/1286498. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1286498,
title = {Materials Data on GeH12(NF2)4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
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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