Materials Data on AlInI4 by Materials Project

doi:10.17188/1276169

Title: Materials Data on AlInI4 by Materials Project

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Abstract

InAlI4 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one InAlI4 sheet oriented in the (1, 0, 0) direction. In1+ is bonded in a 5-coordinate geometry to five I1- atoms. There are a spread of In–I bond distances ranging from 3.48–3.77 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of Al–I bond distances ranging from 2.56–2.59 Å. In the second Al3+ site, Al3+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of Al–I bond distances ranging from 2.56–2.59 Å. There are six inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to two equivalent In1+ and one Al3+ atom. In the second I1- site, I1- is bonded in a distorted L-shaped geometry to one In1+ and one Al3+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Al3+ atom. In the fourth I1- site, I1- is bonded in a single-bond geometry to one In1+ and one Al3+ atom. In the fifth I1- site, I1- is bondedmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-571260

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; AlInI4; Al-I-In

OSTI Identifier:: 1276169

DOI:: https://doi.org/10.17188/1276169

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                    The Materials Project. Materials Data on AlInI4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1276169.

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                    The Materials Project. Materials Data on AlInI4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1276169

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                    The Materials Project. 2020.  
"Materials Data on AlInI4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1276169.  https://www.osti.gov/servlets/purl/1276169. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1276169,

  title        = {Materials Data on AlInI4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {InAlI4 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one InAlI4 sheet oriented in the (1, 0, 0) direction. In1+ is bonded in a 5-coordinate geometry to five I1- atoms. There are a spread of In–I bond distances ranging from 3.48–3.77 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of Al–I bond distances ranging from 2.56–2.59 Å. In the second Al3+ site, Al3+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of Al–I bond distances ranging from 2.56–2.59 Å. There are six inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to two equivalent In1+ and one Al3+ atom. In the second I1- site, I1- is bonded in a distorted L-shaped geometry to one In1+ and one Al3+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Al3+ atom. In the fourth I1- site, I1- is bonded in a single-bond geometry to one In1+ and one Al3+ atom. In the fifth I1- site, I1- is bonded in a distorted single-bond geometry to two equivalent In1+ and one Al3+ atom. In the sixth I1- site, I1- is bonded in a distorted single-bond geometry to two equivalent In1+ and one Al3+ atom.},

  doi          = {10.17188/1276169},

  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/10.17188/1276169

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