Materials Data on Te4Au(OF5)4 by Materials Project

doi:10.17188/1709139

Title: Materials Data on Te4Au(OF5)4 by Materials Project

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Abstract

AuTe4(OF5)4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one AuTe4(OF5)4 cluster. Au is bonded in a square co-planar geometry to four O atoms. There is two shorter (1.98 Å) and two longer (1.99 Å) Au–O bond length. 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 1.94 Å. There are a spread of Te–F bond distances ranging from 1.86–1.89 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 1.94 Å. There are a spread of Te–F bond distances ranging from 1.87–1.89 Å. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Au and one Te atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Au 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 Fmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1217460

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; Te4Au(OF5)4; Au-F-O-Te

OSTI Identifier:: 1709139

DOI:: https://doi.org/10.17188/1709139

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                    The Materials Project. Materials Data on Te4Au(OF5)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1709139.

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                    The Materials Project. Materials Data on Te4Au(OF5)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1709139

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                    The Materials Project. 2020.  
"Materials Data on Te4Au(OF5)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1709139.  https://www.osti.gov/servlets/purl/1709139. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1709139,

  title        = {Materials Data on Te4Au(OF5)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AuTe4(OF5)4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one AuTe4(OF5)4 cluster. Au is bonded in a square co-planar geometry to four O atoms. There is two shorter (1.98 Å) and two longer (1.99 Å) Au–O bond length. 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 1.94 Å. There are a spread of Te–F bond distances ranging from 1.86–1.89 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 1.94 Å. There are a spread of Te–F bond distances ranging from 1.87–1.89 Å. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Au and one Te atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Au 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          = {10.17188/1709139},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1709139

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