Materials Data on TeS7Br2 by Materials Project

doi:10.17188/1283778

Title: Materials Data on TeS7Br2 by Materials Project

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Abstract

TeS7(Br)2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight hydrobromic acid molecules and four TeS7 clusters. In each TeS7 cluster, Te4+ is bonded in a water-like geometry to two equivalent S2- atoms. Both Te–S bond lengths are 2.53 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two equivalent S2- atoms. Both S–S bond lengths are 2.06 Å. In the second S2- site, S2- is bonded in a water-like geometry to two S2- atoms. The S–S bond length is 2.09 Å. In the third S2- site, S2- is bonded in a water-like geometry to two S2- atoms. The S–S bond length is 2.01 Å. In the fourth S2- site, S2- is bonded in a distorted water-like geometry to one Te4+ and one S2- atom.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-683875

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; TeS7Br2; Br-S-Te

OSTI Identifier:: 1283778

DOI:: https://doi.org/10.17188/1283778

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                    The Materials Project. Materials Data on TeS7Br2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1283778.

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                    The Materials Project. Materials Data on TeS7Br2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1283778

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                    The Materials Project. 2020.  
"Materials Data on TeS7Br2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1283778.  https://www.osti.gov/servlets/purl/1283778. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1283778,

  title        = {Materials Data on TeS7Br2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TeS7(Br)2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight hydrobromic acid molecules and four TeS7 clusters. In each TeS7 cluster, Te4+ is bonded in a water-like geometry to two equivalent S2- atoms. Both Te–S bond lengths are 2.53 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two equivalent S2- atoms. Both S–S bond lengths are 2.06 Å. In the second S2- site, S2- is bonded in a water-like geometry to two S2- atoms. The S–S bond length is 2.09 Å. In the third S2- site, S2- is bonded in a water-like geometry to two S2- atoms. The S–S bond length is 2.01 Å. In the fourth S2- site, S2- is bonded in a distorted water-like geometry to one Te4+ and one S2- atom.},

  doi          = {10.17188/1283778},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1283778

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