Materials Data on AlCdCl4 by Materials Project

doi:10.17188/1746763

Title: Materials Data on AlCdCl4 by Materials Project

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Abstract

CdAlCl4 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two CdAlCl4 sheets oriented in the (0, 0, 1) direction. Cd is bonded in a distorted rectangular see-saw-like geometry to three Cl atoms. There are two shorter (2.76 Å) and one longer (2.79 Å) Cd–Cl bond lengths. Al is bonded in a tetrahedral geometry to four Cl atoms. There are one shorter (2.11 Å) and three longer (2.18 Å) Al–Cl bond lengths. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to one Cd and one Al atom. In the second Cl site, Cl is bonded in a water-like geometry to one Cd and 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 water-like geometry to one Cd and one Al atom.

Publication Date:: 2020-05-09

Other Number(s):: mp-1102961

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-Cd-Cl; AlCdCl4; crystal structure

OSTI Identifier:: 1746763

DOI:: https://doi.org/10.17188/1746763

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                    Materials Data on AlCdCl4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746763.

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                    Materials Data on AlCdCl4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746763

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                    2020.  
"Materials Data on AlCdCl4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746763.  https://www.osti.gov/servlets/purl/1746763. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1746763,

  title        = {Materials Data on AlCdCl4 by Materials Project},

  
  abstractNote = {CdAlCl4 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two CdAlCl4 sheets oriented in the (0, 0, 1) direction. Cd is bonded in a distorted rectangular see-saw-like geometry to three Cl atoms. There are two shorter (2.76 Å) and one longer (2.79 Å) Cd–Cl bond lengths. Al is bonded in a tetrahedral geometry to four Cl atoms. There are one shorter (2.11 Å) and three longer (2.18 Å) Al–Cl bond lengths. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to one Cd and one Al atom. In the second Cl site, Cl is bonded in a water-like geometry to one Cd and 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 water-like geometry to one Cd and one Al atom.},

  doi          = {10.17188/1746763},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1746763

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