Abstract

The partial loss of the cohesive metal-metal bonding in interstitial solid solutions of hydrogen in transition metals is compensated by Coulomb interactions. The hydrogen atoms occupy octahedral interstices at high electronegativity of the metal (PdH, NiH, β-VH). Otherwise tetrahedral sites are preferred by crystal field energy (δ-VH, β-TaH, NbH2, etc.). The metal lattice can get distorted by the repulsion of neighbouring atoms, which can be shown by Madelung calculations on β, γ, ζ-NbH and NbH2.

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