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DOE OSTI · 1268000

Materials Data on LaH6(ClO3)3 by Materials Project

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Abstract

LaH6(O3Cl)3 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. La is bonded in a distorted q6 geometry to nine O atoms. There are three shorter (2.58 Å) and six longer (2.59 Å) La–O bond lengths. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. There are two inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one La and two equivalent H atoms. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one La and one Cl atom. The O–Cl bond length is 1.58 Å. Cl is bonded in a bent 120 degrees geometry to two equivalent O atoms.

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36 MATERIALS SCIENCECl-H-La-Ocrystal structureLaH6(ClO3)3

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2020-07-20. Materials Data on LaH6(ClO3)3 by Materials Project. https://doi.org/10.17188/1268000

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