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DOE OSTI · 1299512

Materials Data on BaLaCl5 by Materials Project

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Abstract

BaLaCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 4-coordinate geometry to four Cl1- atoms. There are two shorter (3.13 Å) and two longer (3.21 Å) Ba–Cl bond lengths. La3+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of La–Cl bond distances ranging from 2.75–3.08 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one Ba2+ and one La3+ atom. In the second Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to one Ba2+ and two equivalent La3+ atoms. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent La3+ atoms.

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36 MATERIALS SCIENCEBa-Cl-LaBaLaCl5crystal structure

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2020-04-30. Materials Data on BaLaCl5 by Materials Project. https://doi.org/10.17188/1299512

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