Materials Data on Al2Te2Cl7 by Materials Project

doi:10.17188/1698439

Title: Materials Data on Al2Te2Cl7 by Materials Project

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Abstract

AlCl3AlTeCl4Te crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two aluminum trichloride molecules, one ditellurium molecule, and one AlTeCl4 cluster. In the AlTeCl4 cluster, Al is bonded in a tetrahedral geometry to four Cl atoms. There are a spread of Al–Cl bond distances ranging from 2.12–2.26 Å. Te is bonded in a distorted bent 120 degrees geometry to one Te and one Cl atom. The Te–Te bond length is 2.57 Å. The Te–Cl bond length is 2.88 Å. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted water-like geometry to one Al and one Te atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Al atom. In the third Cl site, Cl is bonded in a single-bond geometry to one Al atom. In the fourth Cl site, Cl is bonded in a single-bond geometry to one Al atom.

Publication Date:: 2019-01-10

Other Number(s):: mp-1192488

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; Al-Cl-Te; Al2Te2Cl7; crystal structure

OSTI Identifier:: 1698439

DOI:: https://doi.org/10.17188/1698439

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                    Materials Data on Al2Te2Cl7 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1698439.

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                    Materials Data on Al2Te2Cl7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1698439

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                    2019.  
"Materials Data on Al2Te2Cl7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1698439.  https://www.osti.gov/servlets/purl/1698439. Pub date:Thu Jan 10 23:00:00 EST 2019

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@article{osti_1698439,

  title        = {Materials Data on Al2Te2Cl7 by Materials Project},

  
  abstractNote = {AlCl3AlTeCl4Te crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two aluminum trichloride molecules, one ditellurium molecule, and one AlTeCl4 cluster. In the AlTeCl4 cluster, Al is bonded in a tetrahedral geometry to four Cl atoms. There are a spread of Al–Cl bond distances ranging from 2.12–2.26 Å. Te is bonded in a distorted bent 120 degrees geometry to one Te and one Cl atom. The Te–Te bond length is 2.57 Å. The Te–Cl bond length is 2.88 Å. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted water-like geometry to one Al and one Te atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Al atom. In the third Cl site, Cl is bonded in a single-bond geometry to one Al atom. In the fourth Cl site, Cl is bonded in a single-bond geometry to one Al atom.},

  doi          = {10.17188/1698439},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1698439

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