Add time:07/31/2019         Source:sciencedirect.com

The yttrium carbide Y2C and two related deuterides Y2CD2.55 and Y2CD2.0, were studied by powder neutron and synchrotron X-ray diffraction. During deuteration the Y sublattice undergoes a transformation from cubic (ABCA…) to the hexagonal (ABA…) close packing of the Y layers. Carbon atoms orderly occupy each second of the available Y6 octahedra, both in the initial carbide and in the deuterides. The Y–Y distances in the C-occupied octahedra are considerably shorter than in the empty ones. In the saturated deuteride, Y2CD2.55, D atoms occupy three different sites, including Y4 tetrahedra and two types of Y6 octahedra. On a transition to the lower deuteride Y2CD2.0, deuterium is completely removed from both types of octahedra leaving completely occupied Y4 sites. The latter transformation is accompanied by lattice expansion.

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