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Title: Materials Data on AlInI4 by Materials Project

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 » 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.« less

Publication Date:
Other Number(s):
mp-571260
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; AlInI4; Al-I-In
OSTI Identifier:
1276169
DOI:
10.17188/1276169

Citation Formats

The Materials Project. Materials Data on AlInI4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276169.
The Materials Project. Materials Data on AlInI4 by Materials Project. United States. doi:10.17188/1276169.
The Materials Project. 2020. "Materials Data on AlInI4 by Materials Project". United States. doi:10.17188/1276169. https://www.osti.gov/servlets/purl/1276169. Pub date:Wed Apr 29 00:00:00 EDT 2020
@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 = {2020},
month = {4}
}

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