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Title: Materials Data on Y(AlCl4)3 by Materials Project

Abstract

Y(AlCl4)3 crystallizes in the trigonal P3_112 space group. The structure is one-dimensional and consists of one Y(AlCl4)3 ribbon oriented in the (0, 0, 1) direction. Y3+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Y–Cl bond distances ranging from 2.74–2.93 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Al–Cl bond distances ranging from 2.10–2.24 Å. In the second Al3+ site, Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are two shorter (2.16 Å) and two longer (2.17 Å) Al–Cl bond lengths. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Y3+ and one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Y3+ and one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Y3+ and one Al3+ atom. In the fifth Cl1- site, Cl1-more » is bonded in a distorted L-shaped geometry to one Y3+ and one Al3+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom.« less

Publication Date:
Other Number(s):
mp-570857
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; Y(AlCl4)3; Al-Cl-Y
OSTI Identifier:
1275944
DOI:
https://doi.org/10.17188/1275944

Citation Formats

The Materials Project. Materials Data on Y(AlCl4)3 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1275944.
The Materials Project. Materials Data on Y(AlCl4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1275944
The Materials Project. 2017. "Materials Data on Y(AlCl4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1275944. https://www.osti.gov/servlets/purl/1275944. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1275944,
title = {Materials Data on Y(AlCl4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Y(AlCl4)3 crystallizes in the trigonal P3_112 space group. The structure is one-dimensional and consists of one Y(AlCl4)3 ribbon oriented in the (0, 0, 1) direction. Y3+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Y–Cl bond distances ranging from 2.74–2.93 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Al–Cl bond distances ranging from 2.10–2.24 Å. In the second Al3+ site, Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are two shorter (2.16 Å) and two longer (2.17 Å) Al–Cl bond lengths. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Y3+ and one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Y3+ and one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Y3+ and one Al3+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Y3+ and one Al3+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom.},
doi = {10.17188/1275944},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}