Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
9803176 | Journal of Alloys and Compounds | 2005 | 4 Pages |
Abstract
The Zr9V4SHâ¼23 hydride was synthesized by saturation from gaseous hydrogen at room temperature and 0.12âMPa hydrogen pressure. The measured hydrogen absorption capacity of the κ-Zr9V4S was 1.77âH/M. The refinement of the hydride structure with the use of X-ray powder diffraction data confirmed the preserved symmetry of the metallic matrix (sp.gr. P63 /mmc, a=9.2715(2), c=9.0756(4)Ã
, Îa/a=7.3%, Îc/c=6.1%, ÎV/V=22.1%, ÎV/at.H=2.62 âÃ
3). The analysis of interstices in this compound revealed that without positioning hydrogen atoms in triangular Zr3 interstices it is impossible to model the structure of k-hydride with the experimentally observed capacity. Neutron powder diffraction study of the Zr9V4SDâ¼23 deuteride (sp.gr. P63/mmc, a=9.2779(5), c=9.0779(5) âÃ
) revealed deuterium atoms filling two tetrahedral and three triangular interstices. A full occupancy of only one site (D4) was observed in our sample giving the refined deuterium content of 20.8(2)âD/f.u. Filling of the D4 site causes a displacement of the sulphur atoms from the three-fold axis (splitting of 2c to 6h position).
Keywords
Related Topics
Physical Sciences and Engineering
Materials Science
Metals and Alloys
Authors
I.Yu. Zavaliy, R. Äerný, I.V. Koval'chuck, A.B. Riabov, R.V. Denys,