Materials Data on Ta(TeBr3)2 by Materials Project

doi:10.17188/1203827

Title: Materials Data on Ta(TeBr3)2 by Materials Project

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Abstract

Ta(TeBr3)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Ta(TeBr3)2 clusters. Ta4+ is bonded in an octahedral geometry to six Br1- atoms. There are a spread of Ta–Br bond distances ranging from 2.45–2.68 Å. There are two inequivalent Te1+ sites. In the first Te1+ site, Te1+ is bonded in a single-bond geometry to one Br1- atom. The Te–Br bond length is 3.18 Å. In the second Te1+ site, Te1+ is bonded in a single-bond geometry to one Br1- atom. The Te–Br bond length is 3.26 Å. There are six inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Ta4+ atom. In the second Br1- site, Br1- is bonded in a distorted water-like geometry to one Ta4+ and one Te1+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Ta4+ atom. In the fourth Br1- site, Br1- is bonded in a distorted water-like geometry to one Ta4+ and one Te1+ atom. In the fifth Br1- site, Br1- is bonded in a single-bond geometry to one Ta4+ atom. In the sixth Br1- site, Br1- is bonded in a single-bond geometry tomore » one Ta4+ atom.« less

Publication Date:: 2020-07-20

Other Number(s):: mp-29427

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; Br-Ta-Te; Ta(TeBr3)2; crystal structure

OSTI Identifier:: 1203827

DOI:: https://doi.org/10.17188/1203827

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                    Materials Data on Ta(TeBr3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203827.

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                    Materials Data on Ta(TeBr3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203827

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                    2020.  
"Materials Data on Ta(TeBr3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203827.  https://www.osti.gov/servlets/purl/1203827. Pub date:Mon Jul 20 04:00:00 UTC 2020

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@article{osti_1203827,

  title        = {Materials Data on Ta(TeBr3)2 by Materials Project},

  
  abstractNote = {Ta(TeBr3)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Ta(TeBr3)2 clusters. Ta4+ is bonded in an octahedral geometry to six Br1- atoms. There are a spread of Ta–Br bond distances ranging from 2.45–2.68 Å. There are two inequivalent Te1+ sites. In the first Te1+ site, Te1+ is bonded in a single-bond geometry to one Br1- atom. The Te–Br bond length is 3.18 Å. In the second Te1+ site, Te1+ is bonded in a single-bond geometry to one Br1- atom. The Te–Br bond length is 3.26 Å. There are six inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Ta4+ atom. In the second Br1- site, Br1- is bonded in a distorted water-like geometry to one Ta4+ and one Te1+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Ta4+ atom. In the fourth Br1- site, Br1- is bonded in a distorted water-like geometry to one Ta4+ and one Te1+ atom. In the fifth Br1- site, Br1- is bonded in a single-bond geometry to one Ta4+ atom. In the sixth Br1- site, Br1- is bonded in a single-bond geometry to one Ta4+ atom.},

  doi          = {10.17188/1203827},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1203827

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