Materials Data on TeAuBr8 by Materials Project

doi:10.17188/1264963

Title: Materials Data on TeAuBr8 by Materials Project

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Abstract

AuTeBr7Br crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one bromine molecule and one AuTeBr7 cluster. In the AuTeBr7 cluster, Au2+ is bonded in a rectangular see-saw-like geometry to four Br1- atoms. There are a spread of Au–Br bond distances ranging from 2.46–2.50 Å. Te6+ is bonded in a distorted octahedral geometry to six Br1- atoms. There are a spread of Te–Br bond distances ranging from 2.53–3.15 Å. There are seven inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted L-shaped geometry to one Au2+ and one Te6+ atom. In the second Br1- site, Br1- is bonded in a distorted water-like geometry to one Au2+ and one Te6+ atom. In the third Br1- site, Br1- is bonded in a distorted L-shaped geometry to one Au2+ and one Te6+ atom. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Au2+ atom. In the fifth Br1- site, Br1- is bonded in a single-bond geometry to one Te6+ atom. In the sixth Br1- site, Br1- is bonded in a single-bond geometry to one Te6+ atom. In the seventh Br1- site, Br1- is bonded in a single-bond geometrymore » to one Te6+ atom.« less

Publication Date:: 2020-07-22

Other Number(s):: mp-541134

DOE Contract Number:: AC02-05CH11231;

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Au-Br-Te; crystal structure; TeAuBr8

OSTI Identifier:: 1264963

DOI:: https://doi.org/10.17188/1264963

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                    Materials Data on TeAuBr8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1264963.

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                    Materials Data on TeAuBr8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1264963

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                    2020.  
"Materials Data on TeAuBr8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1264963.  https://www.osti.gov/servlets/purl/1264963. Pub date:Wed Jul 22 20:00:00 EDT 2020

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@article{osti_1264963,

  title        = {Materials Data on TeAuBr8 by Materials Project},

  
  abstractNote = {AuTeBr7Br crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one bromine molecule and one AuTeBr7 cluster. In the AuTeBr7 cluster, Au2+ is bonded in a rectangular see-saw-like geometry to four Br1- atoms. There are a spread of Au–Br bond distances ranging from 2.46–2.50 Å. Te6+ is bonded in a distorted octahedral geometry to six Br1- atoms. There are a spread of Te–Br bond distances ranging from 2.53–3.15 Å. There are seven inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted L-shaped geometry to one Au2+ and one Te6+ atom. In the second Br1- site, Br1- is bonded in a distorted water-like geometry to one Au2+ and one Te6+ atom. In the third Br1- site, Br1- is bonded in a distorted L-shaped geometry to one Au2+ and one Te6+ atom. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Au2+ atom. In the fifth Br1- site, Br1- is bonded in a single-bond geometry to one Te6+ atom. In the sixth Br1- site, Br1- is bonded in a single-bond geometry to one Te6+ atom. In the seventh Br1- site, Br1- is bonded in a single-bond geometry to one Te6+ atom.},

  doi          = {10.17188/1264963},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1264963

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