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DOE OSTI · 1275521

Materials Data on Yb(AlCl4)2 by Materials Project

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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.

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36 MATERIALS SCIENCEAl-Cl-Ybcrystal structureYb(AlCl4)2

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2020-05-01. Materials Data on Yb(AlCl4)2 by Materials Project. https://doi.org/10.17188/1275521

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