Materials Data on GaP2I9 by Materials Project

doi:10.17188/1204270

Title: Materials Data on GaP2I9 by Materials Project

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Abstract

GaI4PI3PI2 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight 15177-78-3 molecules, eight phosphorus triiodide molecules, and eight GaI4 clusters. In each GaI4 cluster, Ga3+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of Ga–I bond distances ranging from 2.56–2.64 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Ga3+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one Ga3+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Ga3+ atom. In the fourth I1- site, I1- is bonded in a single-bond geometry to one Ga3+ atom.

Publication Date:: 2014-03-19

Other Number(s):: mp-29817

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Ga-I-P; GaP2I9; crystal structure

OSTI Identifier:: 1204270

DOI:: https://doi.org/10.17188/1204270

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                    Materials Data on GaP2I9 by Materials Project.  United States: N. p., 2014. 
        Web.  doi:10.17188/1204270.

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                    Materials Data on GaP2I9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204270

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                    2014.  
"Materials Data on GaP2I9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204270.  https://www.osti.gov/servlets/purl/1204270. Pub date:Wed Mar 19 00:00:00 EDT 2014

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@article{osti_1204270,

  title        = {Materials Data on GaP2I9 by Materials Project},

  
  abstractNote = {GaI4PI3PI2 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight 15177-78-3 molecules, eight phosphorus triiodide molecules, and eight GaI4 clusters. In each GaI4 cluster, Ga3+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of Ga–I bond distances ranging from 2.56–2.64 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Ga3+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one Ga3+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Ga3+ atom. In the fourth I1- site, I1- is bonded in a single-bond geometry to one Ga3+ atom.},

  doi          = {10.17188/1204270},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2014},

  month        = {3}

}

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DOI: https://doi.org/10.17188/1204270

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