Materials Data on Os2Xe(O3F5)2 by Materials Project

doi:10.17188/1746239

Title: Materials Data on Os2Xe(O3F5)2 by Materials Project

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Abstract

XeF5Os2O6F5 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four Os2O6F5 clusters and four XeF5 clusters. In each Os2O6F5 cluster, Os is bonded to three O and three F atoms to form distorted corner-sharing OsO3F3 octahedra. The corner-sharing octahedral tilt angles are 24°. There is two shorter (1.71 Å) and one longer (1.72 Å) Os–O bond length. There are a spread of Os–F bond distances ranging from 2.00–2.17 Å. There are three 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. In the third O site, O is bonded in a single-bond geometry to one Os atom. There are three inequivalent F sites. In the first F site, F is bonded in a bent 150 degrees geometry to two equivalent Os atoms. In the second F site, F is bonded in a single-bond geometry to one Os atom. In the third F site, F is bonded in a single-bond geometry to one Os atom. In each XeF5 cluster, Xe is bonded in a distorted square pyramidal geometry tomore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1205001

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; Os2Xe(O3F5)2; F-O-Os-Xe

OSTI Identifier:: 1746239

DOI:: https://doi.org/10.17188/1746239

Citation Formats


                    The Materials Project. Materials Data on Os2Xe(O3F5)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746239.

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                    The Materials Project. Materials Data on Os2Xe(O3F5)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746239

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                    The Materials Project. 2020.  
"Materials Data on Os2Xe(O3F5)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746239.  https://www.osti.gov/servlets/purl/1746239. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1746239,

  title        = {Materials Data on Os2Xe(O3F5)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {XeF5Os2O6F5 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four Os2O6F5 clusters and four XeF5 clusters. In each Os2O6F5 cluster, Os is bonded to three O and three F atoms to form distorted corner-sharing OsO3F3 octahedra. The corner-sharing octahedral tilt angles are 24°. There is two shorter (1.71 Å) and one longer (1.72 Å) Os–O bond length. There are a spread of Os–F bond distances ranging from 2.00–2.17 Å. There are three 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. In the third O site, O is bonded in a single-bond geometry to one Os atom. There are three inequivalent F sites. In the first F site, F is bonded in a bent 150 degrees geometry to two equivalent Os atoms. In the second F site, F is bonded in a single-bond geometry to one Os atom. In the third F site, F is bonded in a single-bond geometry to one Os atom. In each XeF5 cluster, Xe is bonded in a distorted square pyramidal geometry to five F atoms. There is three shorter (1.98 Å) and two longer (1.99 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.},

  doi          = {10.17188/1746239},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1746239

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