Materials Data on Al2Te2Cl7 by Materials Project

doi:10.17188/1264489

Title: Materials Data on Al2Te2Cl7 by Materials Project

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Abstract

Al2Cl7(Te)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two tellurium tetramer molecules and four Al2Cl7 clusters. In each Al2Cl7 cluster, there are two inequivalent Al sites. In the first Al site, Al is bonded to four Cl atoms to form corner-sharing AlCl4 tetrahedra. There are a spread of Al–Cl bond distances ranging from 2.12–2.29 Å. In the second Al site, Al is bonded to four Cl atoms to form corner-sharing AlCl4 tetrahedra. There are a spread of Al–Cl bond distances ranging from 2.12–2.29 Å. There are seven 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. In the fourth Cl site, Cl is bonded in a single-bond geometry to one Al atom. In the fifth Cl site, Cl is bonded in a single-bond geometry to one Al atom. In the sixth Cl site, Cl is bonded in a single-bond geometry to one Al atom. In the seventh Cl site, Cl ismore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-540629

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; Al2Te2Cl7; Al-Cl-Te

OSTI Identifier:: 1264489

DOI:: https://doi.org/10.17188/1264489

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                    The Materials Project. Materials Data on Al2Te2Cl7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1264489.

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                    The Materials Project. Materials Data on Al2Te2Cl7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1264489

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                    The Materials Project. 2020.  
"Materials Data on Al2Te2Cl7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1264489.  https://www.osti.gov/servlets/purl/1264489. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1264489,

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

  author       = {The Materials Project},

  abstractNote = {Al2Cl7(Te)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two tellurium tetramer molecules and four Al2Cl7 clusters. In each Al2Cl7 cluster, there are two inequivalent Al sites. In the first Al site, Al is bonded to four Cl atoms to form corner-sharing AlCl4 tetrahedra. There are a spread of Al–Cl bond distances ranging from 2.12–2.29 Å. In the second Al site, Al is bonded to four Cl atoms to form corner-sharing AlCl4 tetrahedra. There are a spread of Al–Cl bond distances ranging from 2.12–2.29 Å. There are seven 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. In the fourth Cl site, Cl is bonded in a single-bond geometry to one Al atom. In the fifth Cl site, Cl is bonded in a single-bond geometry to one Al atom. In the sixth Cl site, Cl is bonded in a single-bond geometry to one Al atom. In the seventh Cl site, Cl is bonded in a water-like geometry to two Al atoms.},

  doi          = {10.17188/1264489},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1264489

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