Synthesis and crystal
structure of the new Mg8Rh4BD3.5 deuteride
Chem.
Met. Alloys 10 (2017)
106-112
https://doi.org/10.30970/cma10.0364
I.Yu. Zavaliy, Yu.V. Verbovytskyy, V. Paul-Boncour, R. Denys,
V. Berezovets, A. Riabov
The crystal structure of the Mg8Rh4BD3.5
deuteride has been investigated by both X-ray and
neutron powder diffraction at 300 and 10 K. Deuterium
absorption by Mg8Rh4B proceeds through isotropic
expansion of the unit cell volume by 4.1% in the same cubic structure (Fd-3m)
as the parent compound. The deuterium atoms mostly occupy tetrahedral 32e sites with Mg3Rh
surrounding (93.5% of the total D content), however, a
small occupancy of octahedral 16d
sites (Mg6) was also observed.
Projection of the structure of Mg8Rh4BD3+x onto the XY plane.
Keywords
Metal
hydride / Magnesium compounds / Crystal structure / X-ray and neutron
powder diffraction