Materials Data on AsXeO2F7 by Materials Project

doi:10.17188/1651790

Title: Materials Data on AsXeO2F7 by Materials Project

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Abstract

XeO2FAsF6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four AsF6 clusters and four XeO2F clusters. In each AsF6 cluster, As is bonded in an octahedral geometry to six F atoms. There are a spread of As–F bond distances ranging from 1.74–1.82 Å. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one As atom. In the second F site, F is bonded in a single-bond geometry to one As atom. In the third F site, F is bonded in a single-bond geometry to one As atom. In the fourth F site, F is bonded in a single-bond geometry to one As atom. In the fifth F site, F is bonded in a single-bond geometry to one As atom. In the sixth F site, F is bonded in a single-bond geometry to one As atom. In each XeO2F cluster, Xe is bonded in a distorted trigonal non-coplanar geometry to two O and one F atom. Both Xe–O bond lengths are 1.84 Å. The Xe–F bond length is 2.03 Å. There are two inequivalent O sites. In the first O site, O is bonded inmore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-1228850

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; AsXeO2F7; As-F-O-Xe

OSTI Identifier:: 1651790

DOI:: https://doi.org/10.17188/1651790

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                    The Materials Project. Materials Data on AsXeO2F7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1651790.

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                    The Materials Project. Materials Data on AsXeO2F7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1651790

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                    The Materials Project. 2020.  
"Materials Data on AsXeO2F7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1651790.  https://www.osti.gov/servlets/purl/1651790. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1651790,

  title        = {Materials Data on AsXeO2F7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {XeO2FAsF6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four AsF6 clusters and four XeO2F clusters. In each AsF6 cluster, As is bonded in an octahedral geometry to six F atoms. There are a spread of As–F bond distances ranging from 1.74–1.82 Å. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one As atom. In the second F site, F is bonded in a single-bond geometry to one As atom. In the third F site, F is bonded in a single-bond geometry to one As atom. In the fourth F site, F is bonded in a single-bond geometry to one As atom. In the fifth F site, F is bonded in a single-bond geometry to one As atom. In the sixth F site, F is bonded in a single-bond geometry to one As atom. In each XeO2F cluster, Xe is bonded in a distorted trigonal non-coplanar geometry to two O and one F atom. Both Xe–O bond lengths are 1.84 Å. The Xe–F bond length is 2.03 Å. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Xe atom. In the second O site, O is bonded in a single-bond geometry to one Xe atom. F is bonded in a single-bond geometry to one Xe atom.},

  doi          = {10.17188/1651790},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1651790

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