A Decade of neutron diffraction study of iron hydrides

Aoki, Katsutoshi*; Machida, Akihiko*; Saito, Hiroyuki*; Hattori, Takanori

Koatsuryoku No Kagaku To Gijutsu, 35(1), p.4 - 11, 2025/03

https://doi.org/10.4131/jshpreview.35.4

Iron reacts with hydrogen to form solid solutions with body-centered cubic, face-centered cubic, hexagonal close packed, and double hexagonal close packed structures at high temperatures and high pressures. Neutron diffraction is the most powerful tool for determining the occupation sites and occupancies of hydrogen atoms dissolved in a metal lattice. Structural parameters, including hydrogen occupation sites and occupancies, are refined via Rietveld analysis for neutron diffraction data. We present our expertise in Rietveld refinement of iron hydrides accumulated over 10 years.