Title: Materials Data on Yb(AlCl4)2 by Materials Project

Abstract

Yb(AlCl4)2 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional and consists of two Yb(AlCl4)2 frameworks. Yb2+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are four shorter (2.81 Å) and four longer (3.11 Å) Yb–Cl bond lengths. Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are two shorter (2.15 Å) and two longer (2.17 Å) Al–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Yb2+ and one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Yb2+ and one Al3+ atom.

Publication Date:
Other Number(s):
mp-570106
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; Al-Cl-Yb; crystal structure; Yb(AlCl4)2
OSTI Identifier:
1275521
DOI:
https://doi.org/10.17188/1275521

Citation Formats

Materials Data on Yb(AlCl4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275521.
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Materials Data on Yb(AlCl4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1275521
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2020. "Materials Data on Yb(AlCl4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1275521. https://www.osti.gov/servlets/purl/1275521. Pub date:Thu Apr 30 20:00:00 EDT 2020
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@article{osti_1275521,
title = {Materials Data on Yb(AlCl4)2 by Materials Project},
abstractNote = {Yb(AlCl4)2 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional and consists of two Yb(AlCl4)2 frameworks. Yb2+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are four shorter (2.81 Å) and four longer (3.11 Å) Yb–Cl bond lengths. Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are two shorter (2.15 Å) and two longer (2.17 Å) Al–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Yb2+ and one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Yb2+ and one Al3+ atom.},
doi = {10.17188/1275521},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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DOI: https://doi.org/10.17188/1275521
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