Neutron diffraction study of the location of deuterium in the deuterium-stabilized ZrTi2D3.83 phase

The location of D atoms in the deuterium-stabilized ZrTi2D3.83 phase with C IS-type host lattice has been studied by neutron diffraction in the tempera ture range 11-300 K. It is found that D atoms occupy two types of sites of the space group Fd (3) over bar m: 32e (ZrTi3) and 96g (Zr2Ti2). Most of th e deuterium atoms are located in 32e sites. The occupancy of these sites is found to increase from 0.81 at 300 K to 0.94 a; 11 K. Thus, as the tempera ture decreases, the ZrTi2-D system approaches the fully ordered state with the completely occupied sublattice of 32e sites. (C) 2000 Elsevier Science S.A. All rights reserved.