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Neutron powder diffraction, and solid-state deuterium NMR analyses of Yb2RuD6 and spectroscopic vibrational analysis of Yb2RuD6 and Yb2RuH6 |
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| Authors: | Ralph O. Moyer Jr. Denis F.R. Gilson |
| Affiliation: | a Department of Chemistry, Trinity College, 300 Summit Street, Hartford, CT 06106-3100, USA b Department of Chemistry, McGill University, 801 Sherbrooke Street West, Montreal, Quebec, Canada H3A2K6 c Advanced Photon Source, Argonne National Laboratory, Argonne, IL 06439-4856, USA |
| Abstract: | The crystal structure of Yb2RuD6 has been determined by neutron powder diffraction and the results were consistent with the Fm3m (#225) space group, a=7.2352(18) Å, with the atoms arranged according to the well-known K2PtCl6 structure. No structural phase transition was observed in going from room temperature to 4 K. Raman spectra were not available due to fluorescence, but all fundamental bands and combination bands were assigned from FTIR and PAIR spectra only following previous studies for other alkaline earth and europium ruthenium ternary metal hydrides and deuterides. The deuterium nuclear quadrupole coupling constant, 40.9 kHz, leads to an ionic character of the Ru-D bond of 82%. |
| Keywords: | Ternary metal deuteride Neutron powder diffraction Infrared spectroscopy Deuterium NMR |
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