Hydrogenation induced valence change and metal atom site exchange at room temperature in the C14-type sub-structure of CeMn1.8Al0.2H4.4

Filinchuk, Yaroslav;Sheptyakov, D.;Hilscher, G.;Yvon, K.
(2003) Journal of Alloys and Compounds — Vol. 356-357, p. 673-678 (2003)

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CeMn1.8Al0.2 absorbs more than 4.4 hydrogen atoms near ambient conditions, thereby undergoing a volume expansion (ΔV/Ṽ43%) that is the largest known among metal hydrides. While the Mn/Al distribution in the C14-type alloy [P63/mmc, a = 5.37393(6), c = 8.76321(12) Å] is partially ordered (preference of Al for site 2a), it tends to become disordered in the hydride (equal Mn/Al occupancies for sites 2a and 6h). Only very slow hydrogenation while cooling the sample to -70°C is capable of maintaining a partial Mn/Al order. Deuterium in CeMn1.8Al0.2D4.36(7) [a = 5.9788(6), c = 9.7600(13) Å] occupies exclusively tetrahedral Ce2(Mn,Al)2 type interstices. Magnetic susceptibility data suggest that the volume expansion during hydrogenation is enhanced by a valence change of cerium (CeIV → CeIII). © 2003 Elsevier B.V. All rights reserved.
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Filinchuk, Y., Sheptyakov, D., Hilscher, G., & Yvon, K. (2003). Hydrogenation induced valence change and metal atom site exchange at room temperature in the C14-type sub-structure of CeMn1.8Al0.2H4.4. Journal of Alloys and Compounds, 356-357, 673-678. https://doi.org/10.1016/S0925-8388(03)00123-3 (Original work published 2003)