Materials Data on Y(AlCl4)3 by Materials Project

doi:10.17188/1275944

Title: Materials Data on Y(AlCl4)3 by Materials Project

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Abstract

Y(AlCl4)3 crystallizes in the trigonal P3_112 space group. The structure is one-dimensional and consists of one Y(AlCl4)3 ribbon oriented in the (0, 0, 1) direction. Y3+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Y–Cl bond distances ranging from 2.74–2.93 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Al–Cl bond distances ranging from 2.10–2.24 Å. In the second Al3+ site, Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are two shorter (2.16 Å) and two longer (2.17 Å) Al–Cl bond lengths. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Y3+ and one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Y3+ and one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Y3+ and one Al3+ atom. In the fifth Cl1- site, Cl1-more »« less

Authors:: The Materials Project

Publication Date:: Wed May 10 00:00:00 EDT 2017

Other Number(s):: mp-570857

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; Y(AlCl4)3; Al-Cl-Y

OSTI Identifier:: 1275944

DOI:: https://doi.org/10.17188/1275944

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                    The Materials Project. Materials Data on Y(AlCl4)3 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1275944.

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                    The Materials Project. Materials Data on Y(AlCl4)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275944

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                    The Materials Project. 2017.  
"Materials Data on Y(AlCl4)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275944.  https://www.osti.gov/servlets/purl/1275944. Pub date:Wed May 10 00:00:00 EDT 2017

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@article{osti_1275944,

  title        = {Materials Data on Y(AlCl4)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y(AlCl4)3 crystallizes in the trigonal P3_112 space group. The structure is one-dimensional and consists of one Y(AlCl4)3 ribbon oriented in the (0, 0, 1) direction. Y3+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Y–Cl bond distances ranging from 2.74–2.93 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Al–Cl bond distances ranging from 2.10–2.24 Å. In the second Al3+ site, Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are two shorter (2.16 Å) and two longer (2.17 Å) Al–Cl bond lengths. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Y3+ and one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Y3+ and one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Y3+ and one Al3+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Y3+ and one Al3+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom.},

  doi          = {10.17188/1275944},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed May 10 00:00:00 EDT 2017},

  month        = {Wed May 10 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1275944

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