Abstract
LaNiSnD 2 dideuteride was synthesised and characterised by powder synchrotron X-ray and neutron diffraction and thermal desorption spectroscopy. Transformation from orthorhombic TiNiSi into the hexagonal ZrBeSi type proceeds in the metal sublattice upon deuteration. In LaNiSnD 2 (space group P6 3/mmc ; a=4.42249(4), c=8.67405(9) Å) deuterium atoms completely occupy one type of La 3Ni tetrahedra, sharing common vertexes and edges and forming a spatial framework. The shortest interatomic distances in the structure are: La–D, 2.6118(4) Å; Ni–D, 1.619(2) Å; Sn–D, 2.718(2) Å; and D–D, 2.780(2) Å. Reversible formation of LaNiSn from the deuteride proceeds in vacuum at 670 K, with a peak of D evolution at 530–610 K.
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