Directional metal-hydrogen bonding in interstitial hydrides. III. Structural study of ErCo3Dx (0≤x≤4.3)

Filinchuk, Yaroslav;Yvon, K.
(2006) Journal of Solid State Chemistry — Vol. 179, n° 4, p. 1041-1052 (2006)

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The ErCo3-D2 system has been studied by in situ neutron powder diffraction (NPD) at 60 °C and 0-16 bar deuterium pressure. Two deuteride phases were identified, β-ErCo3D 1.07-1.38 and γ-ErCo3D3.7-4.3. They were structurally characterized at the compositions β-ErCo3D 1.37 and γ-ErCo3D3.7 by high-resolution neutron and synchrotron powder diffraction. In contrast to the analogous nickel systems RNi3-D2 (R=Er, Ho; see part I, J. Alloys and Compds. 404-406 (2005) 89-94, and part II, J. Alloys and Compds. 2005, in press), their structures preserve the symmetry of the parent alloy (PuNi 3-type, space group R-3m). Deuterium occupies mainly AB2 building blocks in the β-phase, and AB2 and AB5 building blocks in the γ-phase. In the AB2 building blocks cobalt is surrounded by an average of 3.8 (β-ErCo3D 1.37) and 4.4 D-atoms (γ-ErCo3D3.7) in disordered distorted octahedral configurations (point symmetry -3), in contrast to nickel that is surrounded by ∼3 (β1- and β2-RNi3Dx, R=Er, Ho) and ∼4 (γ-ErNi3D3.7) D-atoms in disordered trigonal (pyramidal) and tetrahedral configurations, respectively (point symmetry 3). These results indicate that the D-atom distributions in this homologous series depend on the nature of the transition element rather than on geometric factors, and that directional bonding effects similar to those in non-metallic complex transition metal hydrides also prevail in metallic interstitial metal hydrides. © 2006 Elsevier Inc. All rights reserved.
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  • ESRF, Grenoble (France)Chimie

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Filinchuk, Y., & Yvon, K. (2006). Directional metal-hydrogen bonding in interstitial hydrides. III. Structural study of ErCo3Dx (0≤x≤4.3). Journal of Solid State Chemistry, 179(4), 1041-1052. https://doi.org/10.1016/j.jssc.2006.01.001 (Original work published 2006)