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Title: Materials Data on GeXeF10 by Materials Project

Abstract

XeF5GeF5 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four XeF5 clusters and two GeF5 ribbons oriented in the (1, 0, 0) direction. In each XeF5 cluster, Xe is bonded in a distorted square pyramidal geometry to five F atoms. There is one shorter (1.97 Å) and four longer (1.98 Å) Xe–F bond length. There are four inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Xe atom. In the second F site, F is bonded in a single-bond geometry to one Xe atom. In the third F site, F is bonded in a single-bond geometry to one Xe atom. In the fourth F site, F is bonded in a single-bond geometry to one Xe atom. In each GeF5 ribbon, Ge is bonded to six F atoms to form corner-sharing GeF6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of Ge–F bond distances ranging from 1.79–1.94 Å. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Ge atom. In the second F site, F is bonded in a single-bond geometry tomore » one Ge atom. In the third F site, F is bonded in a bent 150 degrees geometry to two equivalent Ge atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-556130
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; GeXeF10; F-Ge-Xe
OSTI Identifier:
1269187
DOI:
10.17188/1269187

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on GeXeF10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269187.
Persson, Kristin, & Project, Materials. Materials Data on GeXeF10 by Materials Project. United States. doi:10.17188/1269187.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on GeXeF10 by Materials Project". United States. doi:10.17188/1269187. https://www.osti.gov/servlets/purl/1269187. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1269187,
title = {Materials Data on GeXeF10 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {XeF5GeF5 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four XeF5 clusters and two GeF5 ribbons oriented in the (1, 0, 0) direction. In each XeF5 cluster, Xe is bonded in a distorted square pyramidal geometry to five F atoms. There is one shorter (1.97 Å) and four longer (1.98 Å) Xe–F bond length. There are four inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Xe atom. In the second F site, F is bonded in a single-bond geometry to one Xe atom. In the third F site, F is bonded in a single-bond geometry to one Xe atom. In the fourth F site, F is bonded in a single-bond geometry to one Xe atom. In each GeF5 ribbon, Ge is bonded to six F atoms to form corner-sharing GeF6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of Ge–F bond distances ranging from 1.79–1.94 Å. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Ge atom. In the second F site, F is bonded in a single-bond geometry to one Ge atom. In the third F site, F is bonded in a bent 150 degrees geometry to two equivalent Ge atoms.},
doi = {10.17188/1269187},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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