DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Te4Xe(OF5)4 by Materials Project

Abstract

XeTe4(OF5)4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one XeTe4(OF5)4 cluster. Xe is bonded in a square co-planar geometry to four O atoms. All Xe–O bond lengths are 2.16 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded in an octahedral geometry to one O and five F atoms. The Te–O bond length is 1.93 Å. There are a spread of Te–F bond distances ranging from 1.86–1.88 Å. In the second Te site, Te is bonded in an octahedral geometry to one O and five F atoms. The Te–O bond length is 1.93 Å. There are a spread of Te–F bond distances ranging from 1.86–1.88 Å. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Xe and one Te atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Xe and one Te atom. There are ten 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-bondmore » 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. In the sixth F site, F is bonded in a single-bond geometry to one Te atom. In the seventh F site, F is bonded in a single-bond geometry to one Te atom. In the eighth F site, F is bonded in a single-bond geometry to one Te atom. In the ninth F site, F is bonded in a single-bond geometry to one Te atom. In the tenth F site, F is bonded in a single-bond geometry to one Te atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1208322
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Te4Xe(OF5)4; F-O-Te-Xe
OSTI Identifier:
1740633
DOI:
https://doi.org/10.17188/1740633

Citation Formats

The Materials Project. Materials Data on Te4Xe(OF5)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740633.
The Materials Project. Materials Data on Te4Xe(OF5)4 by Materials Project. United States. doi:https://doi.org/10.17188/1740633
The Materials Project. 2020. "Materials Data on Te4Xe(OF5)4 by Materials Project". United States. doi:https://doi.org/10.17188/1740633. https://www.osti.gov/servlets/purl/1740633. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1740633,
title = {Materials Data on Te4Xe(OF5)4 by Materials Project},
author = {The Materials Project},
abstractNote = {XeTe4(OF5)4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one XeTe4(OF5)4 cluster. Xe is bonded in a square co-planar geometry to four O atoms. All Xe–O bond lengths are 2.16 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded in an octahedral geometry to one O and five F atoms. The Te–O bond length is 1.93 Å. There are a spread of Te–F bond distances ranging from 1.86–1.88 Å. In the second Te site, Te is bonded in an octahedral geometry to one O and five F atoms. The Te–O bond length is 1.93 Å. There are a spread of Te–F bond distances ranging from 1.86–1.88 Å. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Xe and one Te atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Xe and one Te atom. There are ten 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. In the sixth F site, F is bonded in a single-bond geometry to one Te atom. In the seventh F site, F is bonded in a single-bond geometry to one Te atom. In the eighth F site, F is bonded in a single-bond geometry to one Te atom. In the ninth F site, F is bonded in a single-bond geometry to one Te atom. In the tenth F site, F is bonded in a single-bond geometry to one Te atom.},
doi = {10.17188/1740633},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}