Crystal structure of k-Hf₉Mo₄SiD_16.8 deuteride

Chem. Met. Alloys 1 (2008) 180-184

https://doi.org/10.30970/cma1.0055

I.V.KOVAL’CHUCK, R.CERNY_, R.V.DENYS, I.Yu.ZAVALIY

The k-Hf₉Mo₄SiD_16.8 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, c = 9.0947(2), Da/a = 4.0%; Dc/c = 5.5%; DV/V = 14.1%; DV/at.D = 2.33 ų). Deuterium atoms occupy four interstitial positions: two tetrahedral Hf₂Mo₂ and Hf₃Si sites and two triangular Hf₃ sites.

Crystal structure of k-Hf₉Mo₄SiD_16.8.

Keywords

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