Materials Data on TeBr4 by Materials Project

doi:10.17188/1706777

Title: Materials Data on TeBr4 by Materials Project

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Abstract

TeBr4 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four TeBr4 clusters. there are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded to six Br1- atoms to form edge-sharing TeBr6 octahedra. There are a spread of Te–Br bond distances ranging from 2.54–3.11 Å. In the second Te4+ site, Te4+ is bonded to six Br1- atoms to form edge-sharing TeBr6 octahedra. There are a spread of Te–Br bond distances ranging from 2.55–3.09 Å. There are eight inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Te4+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Te4+ atom. In the third Br1- site, Br1- is bonded in a 3-coordinate geometry to three Te4+ atoms. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Te4+ atom. In the fifth Br1- site, Br1- is bonded in a single-bond geometry to one Te4+ atom. In the sixth Br1- site, Br1- is bonded in a single-bond geometry to one Te4+ atom. In the seventh Br1- site, Br1- is bonded in a single-bond geometry to one Te4+ atom.more »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1208424

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; TeBr4; Br-Te

OSTI Identifier:: 1706777

DOI:: https://doi.org/10.17188/1706777

Citation Formats


                    The Materials Project. Materials Data on TeBr4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1706777.

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                    The Materials Project. Materials Data on TeBr4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1706777

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                    The Materials Project. 2020.  
"Materials Data on TeBr4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1706777.  https://www.osti.gov/servlets/purl/1706777. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1706777,

  title        = {Materials Data on TeBr4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TeBr4 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four TeBr4 clusters. there are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded to six Br1- atoms to form edge-sharing TeBr6 octahedra. There are a spread of Te–Br bond distances ranging from 2.54–3.11 Å. In the second Te4+ site, Te4+ is bonded to six Br1- atoms to form edge-sharing TeBr6 octahedra. There are a spread of Te–Br bond distances ranging from 2.55–3.09 Å. There are eight inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Te4+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Te4+ atom. In the third Br1- site, Br1- is bonded in a 3-coordinate geometry to three Te4+ atoms. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Te4+ atom. In the fifth Br1- site, Br1- is bonded in a single-bond geometry to one Te4+ atom. In the sixth Br1- site, Br1- is bonded in a single-bond geometry to one Te4+ atom. In the seventh Br1- site, Br1- is bonded in a single-bond geometry to one Te4+ atom. In the eighth Br1- site, Br1- is bonded in a 3-coordinate geometry to three Te4+ atoms.},

  doi          = {10.17188/1706777},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1706777

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