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Title: Materials Data on AlPI8 by Materials Project

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.

Publication Date:
Other Number(s):
mp-568423
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; AlPI8; Al-I-P
OSTI Identifier:
1274431
DOI:
10.17188/1274431

Citation Formats

The Materials Project. Materials Data on AlPI8 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1274431.
The Materials Project. Materials Data on AlPI8 by Materials Project. United States. doi:10.17188/1274431.
The Materials Project. 2017. "Materials Data on AlPI8 by Materials Project". United States. doi:10.17188/1274431. https://www.osti.gov/servlets/purl/1274431. Pub date:Wed May 10 00:00:00 EDT 2017
@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 = {2017},
month = {5}
}

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