SOULIÉ, Jean-Philippe; PENIN, Nicolas; YVON, Klaus

doi:10.1016/j.jallcom.2012.02.107

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SOULIÉ, Jean-Philippe
Ilika Technologies Ltd.

PENIN, Nicolas
Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB]

YVON, Klaus
Laboratory of Crystallography

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Journal of Alloys and Compounds. 2012, vol. 526, p. 63-67

Elsevier

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In an attempt to observe hydrogen (deuterium) induced atomic ordering of transition (T) metals in AB5-type derivative structures neutron diffraction and hydrogen cycling experiments were performed on a nickelsubstituted boride sample of composition NdCo3NiB. While uncycled NdCo3NiB crystallizes with the centrosymmetric CeCo4B-type structure (space group P6/mmm), hydrogenation (deuteration) and cycling of NdCo3NiB at 373 K between 0 and 60 bar hydrogen (deuterium) atmosphere induces a symmetry decrease to non-centrosymmetric space group P6mm. Evidence for partial cobalt/nickel ordering is found in pristine NdCo3NiB but not in its deuteride NdCo3NiBDx. Compared to boron free AB5-type compounds deuterium occupies only those interstices that have no boron atom in their coordination sphere. These findings are consistent with repulsive B-D interactions. At 303 K the hydrogen equilibrium plateau pressure of the NdCo3NiB-H system is about 2 bar, and the hydrogen content at 10 bar is about 3.1 H atoms per formula unit.< Leer menos

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Rare earth alloys

Hydrogen storage materials

Crystal structure

Neutron diffraction

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Structure and hydrogenation study of nickel substituted NdCo3NiB

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