Materials Data on Al(SeCl2)2 by Materials Project

doi:10.17188/1276587

Title: Materials Data on Al(SeCl2)2 by Materials Project

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Abstract

AlCl4(Se)2 crystallizes in the orthorhombic Pbam space group. The structure is zero-dimensional and consists of four tetraselenetane molecules and eight AlCl4 clusters. In each AlCl4 cluster, Al is bonded in a tetrahedral geometry to four Cl atoms. There are a spread of Al–Cl bond distances ranging from 2.13–2.19 Å. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Al 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.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-574529

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; Al(SeCl2)2; Al-Cl-Se

OSTI Identifier:: 1276587

DOI:: https://doi.org/10.17188/1276587

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                    The Materials Project. Materials Data on Al(SeCl2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1276587.

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                    The Materials Project. Materials Data on Al(SeCl2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1276587

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                    The Materials Project. 2020.  
"Materials Data on Al(SeCl2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1276587.  https://www.osti.gov/servlets/purl/1276587. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1276587,

  title        = {Materials Data on Al(SeCl2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AlCl4(Se)2 crystallizes in the orthorhombic Pbam space group. The structure is zero-dimensional and consists of four tetraselenetane molecules and eight AlCl4 clusters. In each AlCl4 cluster, Al is bonded in a tetrahedral geometry to four Cl atoms. There are a spread of Al–Cl bond distances ranging from 2.13–2.19 Å. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Al 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.},

  doi          = {10.17188/1276587},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1276587

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