Materials Data on AlTlCl4 by Materials Project

doi:10.17188/1274008

Title: Materials Data on AlTlCl4 by Materials Project

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Abstract

TlAlCl4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tl1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.40–3.48 Å. Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are two shorter (2.15 Å) and two longer (2.17 Å) Al–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Tl1+ and one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Tl1+ and one Al3+ atom.

Publication Date:: 2020-07-22

Other Number(s):: mp-567716

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-Tl; AlTlCl4; crystal structure

OSTI Identifier:: 1274008

DOI:: https://doi.org/10.17188/1274008

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                    Materials Data on AlTlCl4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274008.

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                    Materials Data on AlTlCl4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274008

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                    2020.  
"Materials Data on AlTlCl4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274008.  https://www.osti.gov/servlets/purl/1274008. Pub date:Wed Jul 22 04:00:00 UTC 2020

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@article{osti_1274008,

  title        = {Materials Data on AlTlCl4 by Materials Project},

  
  abstractNote = {TlAlCl4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tl1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.40–3.48 Å. Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are two shorter (2.15 Å) and two longer (2.17 Å) Al–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Tl1+ and one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Tl1+ and one Al3+ atom.},

  doi          = {10.17188/1274008},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274008

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