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Title: Materials Data on GaP2I9 by Materials Project

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.

Authors:
Publication Date:
Other Number(s):
mp-29817
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; GaP2I9; Ga-I-P
OSTI Identifier:
1204270
DOI:
https://doi.org/10.17188/1204270

Citation Formats

The Materials Project. Materials Data on GaP2I9 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1204270.
The Materials Project. Materials Data on GaP2I9 by Materials Project. United States. doi:https://doi.org/10.17188/1204270
The Materials Project. 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
@article{osti_1204270,
title = {Materials Data on GaP2I9 by Materials Project},
author = {The 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}
}