Synthesis and crystal structure of κ-Zr9V4Sh∼23
In: Proceedings of the 9th International Symposium on Metal-Hydrogen Systems, Fundamentals and Applications (MH2004), September 5-10, 2004, Cracow, PolandJournal of alloys and compounds 404-6:118-121; Jg. 404-6 (2005) S. 118-121
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The Zr9V4SH∼23 hydride was synthesized by saturation from gaseous hydrogen at room temperature and 0.12 MPa hydrogen pressure. The measured hydrogen absorption capacity of the κ-Zr9V4S was 1.77 H/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)Å, Aa/a = 7.3%, Ac/c = 6.1%, AV/V = 22.1%, AV/at.H = 2.62 Å3). 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 Zr9V4SD∼23 deuteride (sp.gr. P63/mmc, a = 9.2779(5), c = 9.0779(5) Å) 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) D/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).
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Synthesis and crystal structure of κ-Zr9V4Sh∼23
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Autor/in / Beteiligte Person: | ZAVALIY, I. Yu ; CERNY, R ; KOVAL'CHUCK, I. V ; RIABOV, A. B ; DENYS, R. V |
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Quelle: | Proceedings of the 9th International Symposium on Metal-Hydrogen Systems, Fundamentals and Applications (MH2004), September 5-10, 2004, Cracow, PolandJournal of alloys and compounds 404-6:118-121; Jg. 404-6 (2005) S. 118-121 |
Veröffentlichung: | Lausanne: Elsevier, 2005 |
Medientyp: | Konferenz |
Umfang: | print, 15 ref |
ISSN: | 0925-8388 (print) |
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