Abstract
The compounds Zr 2Pd, Zr 2PdD 1.70 and ZrPdD 1.96 have been studied using neutron powder diffraction and the Rietveld method of profile analysis. All three materials crystallize with the symmetry of space group I4 mmm , Z = 2. The lattice parameters are a = 3.3085(9) A ̊ and c = 10.8907(6) A ̊ for Zr 2Pd, a = 3.3207(2) A ̊ and c = 11.6058(9) A ̊ for Zr 2PdD 1.70, and a = 3.3715(3) A ̊ and c = 11.438(2) A ̊ for Zr 2PdD 1.96. The deuterium atoms are located at the centers of slightly distorted tetrahedra of zirconium atoms with a ZrD distance of 2.071(1) Å in Zr 2PdD 1.70 and 2.092(2) in Zr 2PdD 1.96 and with ZrDZr angles ranging from 106.6 ° to 110.9 °. The location of hydrogen in the structure has been confirmed by neutron inelastic scattering measurements. These show a broad hydrogen vibration peak at 135 meV analogous to that observed for hydrogen bound in relatively undistorted tetrahedral sites in other hydrides. As a consequence of the insertion of deuterium in the structure of the intermetallic compound, the ZrZr distances in the deuterides are considerably different from the corresponding ones in Zr 2Pd. However, the ZrPd separation remains practically identical in the three materials.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
