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Title: Materials Data on OsXe2O3F14 by Materials Project

Abstract

Xe2OsO3F14 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four Xe2OsO3F14 clusters. Xe is bonded in a 7-coordinate geometry to seven F atoms. There are a spread of Xe–F bond distances ranging from 1.98–2.44 Å. Os is bonded in a distorted octahedral geometry to three O and three F atoms. There is two shorter (1.71 Å) and one longer (1.72 Å) Os–O bond length. There are one shorter (2.00 Å) and two longer (2.09 Å) Os–F bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Os atom. In the second O site, O is bonded in a single-bond geometry to one Os atom. There are eight inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Os 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 bent 120 degrees geometry to one Xe and one Os atom. In the fifthmore » F site, F is bonded in a single-bond geometry to one Xe atom. In the sixth F site, F is bonded in a bent 150 degrees geometry to two equivalent Xe atoms. In the seventh F site, F is bonded in a single-bond geometry to one Xe atom. In the eighth F site, F is bonded in a single-bond geometry to one Xe atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1204135
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; OsXe2O3F14; F-O-Os-Xe
OSTI Identifier:
1689083
DOI:
https://doi.org/10.17188/1689083

Citation Formats

The Materials Project. Materials Data on OsXe2O3F14 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689083.
The Materials Project. Materials Data on OsXe2O3F14 by Materials Project. United States. doi:https://doi.org/10.17188/1689083
The Materials Project. 2020. "Materials Data on OsXe2O3F14 by Materials Project". United States. doi:https://doi.org/10.17188/1689083. https://www.osti.gov/servlets/purl/1689083. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1689083,
title = {Materials Data on OsXe2O3F14 by Materials Project},
author = {The Materials Project},
abstractNote = {Xe2OsO3F14 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four Xe2OsO3F14 clusters. Xe is bonded in a 7-coordinate geometry to seven F atoms. There are a spread of Xe–F bond distances ranging from 1.98–2.44 Å. Os is bonded in a distorted octahedral geometry to three O and three F atoms. There is two shorter (1.71 Å) and one longer (1.72 Å) Os–O bond length. There are one shorter (2.00 Å) and two longer (2.09 Å) Os–F bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Os atom. In the second O site, O is bonded in a single-bond geometry to one Os atom. There are eight inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Os 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 bent 120 degrees geometry to one Xe and one Os atom. In the fifth F site, F is bonded in a single-bond geometry to one Xe atom. In the sixth F site, F is bonded in a bent 150 degrees geometry to two equivalent Xe atoms. In the seventh F site, F is bonded in a single-bond geometry to one Xe atom. In the eighth F site, F is bonded in a single-bond geometry to one Xe atom.},
doi = {10.17188/1689083},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}