Crystal structural properties of Ti3SnD

Abstract

Ti3Sn crystallises in hexagonal Ni3Sn type structures. Upon deuteration a primary interstitial solid solution of deuterium in Ti3Sn has been identified. At higher deuterium concentrations a cubic hydride phase is formed with the limiting composition Ti3SnD. The structural properties of these phases have been refined from neutron powder diffraction intensities using the Rietveld method. The crystal structure of Ti3SnD has been confirmed to crystallize in the CaTiO3 type structure, space group Pm3m, with the unit cell parameter a=4.1769(4) Å. The deuterium atoms occupy Ti6 octahedral voids in the cubic structure to 95.7(6)% and 72(6)% in the hexagonal. © 2002 Elsevier Science B.V. All rights reserved.