Materials Data on OsXe(O2F3)2 by Materials Project

doi:10.17188/1270750

Title: Materials Data on OsXe(O2F3)2 by Materials Project

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Abstract

XeOF4OsO3F2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one OsO3F2 cluster and two XeOF4 clusters. In the OsO3F2 cluster, Os is bonded in a 6-coordinate geometry to three O and three F atoms. All Os–O bond lengths are 1.71 Å. There are a spread of Os–F bond distances ranging from 1.96–2.16 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 two inequivalent F sites. In the first F site, F is bonded in a water-like geometry to two equivalent Os atoms. In the second F site, F is bonded in a single-bond geometry to one Os atom. In each XeOF4 cluster, Xe is bonded in a square pyramidal geometry to one O and four F atoms. The Xe–O bond length is 1.83 Å. There are two shorter (2.03 Å) and two longer (2.04 Å) Xe–F bond lengths. O is bonded in a single-bond geometry tomore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-559268

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; OsXe(O2F3)2; F-O-Os-Xe

OSTI Identifier:: 1270750

DOI:: https://doi.org/10.17188/1270750

Citation Formats


                    The Materials Project. Materials Data on OsXe(O2F3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270750.

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                    The Materials Project. Materials Data on OsXe(O2F3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1270750

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                    The Materials Project. 2020.  
"Materials Data on OsXe(O2F3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1270750.  https://www.osti.gov/servlets/purl/1270750. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1270750,

  title        = {Materials Data on OsXe(O2F3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {XeOF4OsO3F2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one OsO3F2 cluster and two XeOF4 clusters. In the OsO3F2 cluster, Os is bonded in a 6-coordinate geometry to three O and three F atoms. All Os–O bond lengths are 1.71 Å. There are a spread of Os–F bond distances ranging from 1.96–2.16 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 two inequivalent F sites. In the first F site, F is bonded in a water-like geometry to two equivalent Os atoms. In the second F site, F is bonded in a single-bond geometry to one Os atom. In each XeOF4 cluster, Xe is bonded in a square pyramidal geometry to one O and four F atoms. The Xe–O bond length is 1.83 Å. There are two shorter (2.03 Å) and two longer (2.04 Å) Xe–F bond lengths. O is bonded in a single-bond geometry to one Xe atom. 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          = {10.17188/1270750},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1270750

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