Materials Data on AlPI8 by Materials Project

doi:10.17188/1274431

Title: Materials Data on AlPI8 by Materials Project

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Abstract

AlI4I4(P) is Iron carbide-derived structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four phosphorus tetraiodide molecules and four AlI4 clusters. In each AlI4 cluster, Al3+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of Al–I bond distances ranging from 2.52–2.60 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Al3+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to 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 Al3+ atom.

Authors:: The Materials Project

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

Other Number(s):: mp-568423

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; AlPI8; Al-I-P

OSTI Identifier:: 1274431

DOI:: https://doi.org/10.17188/1274431

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                    The Materials Project. Materials Data on AlPI8 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1274431.

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                    The Materials Project. Materials Data on AlPI8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274431

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                    The Materials Project. 2017.  
"Materials Data on AlPI8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274431.  https://www.osti.gov/servlets/purl/1274431. Pub date:Wed May 10 00:00:00 EDT 2017

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@article{osti_1274431,

  title        = {Materials Data on AlPI8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AlI4I4(P) is Iron carbide-derived structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four phosphorus tetraiodide molecules and four AlI4 clusters. In each AlI4 cluster, Al3+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of Al–I bond distances ranging from 2.52–2.60 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Al3+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to 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 Al3+ atom.},

  doi          = {10.17188/1274431},

  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/10.17188/1274431

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