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Title: Materials Data on Te2Xe(OF5)2 by Materials Project

Abstract

Xe(OTeF5)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four Xe(OTeF5)2 clusters. Xe is bonded in a linear geometry to two equivalent O atoms. Both Xe–O bond lengths are 2.19 Å. Te is bonded in an octahedral geometry to one O and five F atoms. The Te–O bond length is 1.91 Å. There are a spread of Te–F bond distances ranging from 1.87–1.89 Å. O is bonded in a bent 120 degrees geometry to one Xe and one Te atom. There are five inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Te atom. In the second F site, F is bonded in a single-bond geometry to one Te atom. In the third F site, F is bonded in a single-bond geometry to one Te atom. In the fourth F site, F is bonded in a single-bond geometry to one Te atom. In the fifth F site, F is bonded in a single-bond geometry to one Te atom.

Publication Date:
Other Number(s):
mp-557213
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; Te2Xe(OF5)2; F-O-Te-Xe
OSTI Identifier:
1269742
DOI:
https://doi.org/10.17188/1269742

Citation Formats

The Materials Project. Materials Data on Te2Xe(OF5)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269742.
The Materials Project. Materials Data on Te2Xe(OF5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1269742
The Materials Project. 2020. "Materials Data on Te2Xe(OF5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1269742. https://www.osti.gov/servlets/purl/1269742. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1269742,
title = {Materials Data on Te2Xe(OF5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Xe(OTeF5)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four Xe(OTeF5)2 clusters. Xe is bonded in a linear geometry to two equivalent O atoms. Both Xe–O bond lengths are 2.19 Å. Te is bonded in an octahedral geometry to one O and five F atoms. The Te–O bond length is 1.91 Å. There are a spread of Te–F bond distances ranging from 1.87–1.89 Å. O is bonded in a bent 120 degrees geometry to one Xe and one Te atom. There are five inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Te atom. In the second F site, F is bonded in a single-bond geometry to one Te atom. In the third F site, F is bonded in a single-bond geometry to one Te atom. In the fourth F site, F is bonded in a single-bond geometry to one Te atom. In the fifth F site, F is bonded in a single-bond geometry to one Te atom.},
doi = {10.17188/1269742},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}