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Title: Materials Data on GeClO2F5 by Materials Project

Abstract

GeF5ClO2 crystallizes in the orthorhombic C222_1 space group. The structure is one-dimensional and consists of eight hypochlorous acid;hydrate molecules and two GeF5 ribbons oriented in the (0, 0, 1) direction. In each GeF5 ribbon, Ge is bonded to six F atoms to form corner-sharing GeF6 octahedra. The corner-sharing octahedra tilt angles range from 30–39°. There are a spread of Ge–F bond distances ranging from 1.76–1.95 Å. There are six 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. In the fourth F site, F is bonded in a single-bond geometry to one Ge atom. In the fifth F site, F is bonded in a single-bond geometry to one Ge atom. In the sixth F site, F is bonded in a bent 150 degrees geometry to two equivalent Ge atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-557432
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; GeClO2F5; Cl-F-Ge-O
OSTI Identifier:
1269838
DOI:
10.17188/1269838

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on GeClO2F5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269838.
Persson, Kristin, & Project, Materials. Materials Data on GeClO2F5 by Materials Project. United States. doi:10.17188/1269838.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on GeClO2F5 by Materials Project". United States. doi:10.17188/1269838. https://www.osti.gov/servlets/purl/1269838. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1269838,
title = {Materials Data on GeClO2F5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {GeF5ClO2 crystallizes in the orthorhombic C222_1 space group. The structure is one-dimensional and consists of eight hypochlorous acid;hydrate molecules and two GeF5 ribbons oriented in the (0, 0, 1) direction. In each GeF5 ribbon, Ge is bonded to six F atoms to form corner-sharing GeF6 octahedra. The corner-sharing octahedra tilt angles range from 30–39°. There are a spread of Ge–F bond distances ranging from 1.76–1.95 Å. There are six 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. In the fourth F site, F is bonded in a single-bond geometry to one Ge atom. In the fifth F site, F is bonded in a single-bond geometry to one Ge atom. In the sixth F site, F is bonded in a bent 150 degrees geometry to two equivalent Ge atoms.},
doi = {10.17188/1269838},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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