Materials Data on Te4Xe(OF5)4 by Materials Project

doi:10.17188/1740633

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

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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 »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

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.

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                    The Materials Project. Materials Data on Te4Xe(OF5)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1740633

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                    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

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@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}

}

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DOI: https://doi.org/10.17188/1740633

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