Crystal structure of k-Hf9Mo4SiD16.8 deuteride

 

Chem. Met. Alloys 1 (2008) 180-184

 

I.V.KOVALCHUCK, R.CERNY, R.V.DENYS, I.Yu.ZAVALIY

 

The k-Hf9Mo4SiD16.8 deuteride was prepared by deuteration of the intermetallic alloy at room temperature and 0.1 MPa D2 pressure. Synchrotron X-ray and neutron powder diffraction studies revealed that the initial crystal structure is preserved upon deuterium absorption (sp.gr. P63/mmc, a = 8.9553(1) Å, = 9.0947(2), Da/a = 4.0%; Dc/c = 5.5%; DV/V = 14.1%; DV/at.D = 2.33 Å3). Deuterium atoms occupy four interstitial positions: two tetrahedral Hf2Mo2 and Hf3Si sites and two triangular Hf3 sites.

 

Crystal structure of k-Hf9Mo4SiD16.8.

 

Keywords

Hafnium alloys / Hydrides / Crystal structure / X-ray and neutron diffraction analysis