Abstract
The local and crystal structures of the (Ti0.45Cr0.35Mo0.20)-D system have been investigatedby neutron powder diffraction and total neutron scattering. From the result of neutronpowder diffraction, the crystal structure of the system was found to change from CaF2-type structure to bcc structure in hydrogen desorption process, and the D atoms occupythe tetrahedral (T) sites in both CaF2-type and bcc phases. The nearest neighbor coordinationnumber around a D atom has been obtained by the RDF analysis of total neutron scatteringdata. The D atoms occupy the T sites surrounded mainly by the Ti atoms in both CaF2-type and bcc phases.
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