The anti-perovskite type hydride InPd3H0.89

作者：Kohlmann H^*; Skripov A V; Soloninin A V; Udovic T J

来源：Journal of Solid State Chemistry, 2010, 183(10): 2461-2465.

DOI：10.1016/j.jssc.2010.08.015

• Metal hydrides
• Palladium
• Neutron powder diffraction
• Inelastic neutron scattering
• Nuclear magnetic resonance spectroscopy

Hydrogenation of tetragonal InPd3 in the ZrAl3 type structure (four-fold ccp superstructure) yields a hydride with a cubic AuCu3 type structure (one-fold ccp superstructure). Deuterium can be located by neutron powder diffraction in octahedral voids surrounded exclusively by palladium, [Pd-6], which are 88.5(6)% occupied in a statistical manner. The resulting deuteride InPd3D0.89 thus crystallizes in a cubic anti-perovskite type structure (space group Pm (3) over barm (no. 221), a=402.25(1) pm at 299(2) K). The Pd-D distance of 201.13(1) pm is typical for interstitial hydrides with palladium. Inelastic neutron scattering on the hydride InPd3H0.89, which shows a spectrum similar to that of binary palladium hydride, confirms the cubic site symmetry of hydrogen in [Pd-6] interstices. This is also confirmed by the absence of any quadrupole splitting in the D-2-NMR signal of the deuteride. H-1 NMR spectra of InPd3H0.89 do not show any motional narrowing. Values found for the H jump rate tau(-1) in InPd3H0.89 remain below 10(6) s(-1) in the studied temperature range 28-360K. indicating a small hydrogen mobility in InPd3H0.8 as compared with binary palladium hydride, PdH (<= 1).This can be attributed to the large spatial separation of the [Pd-6] sites.

• 出版日期2010-10