Year: 2025
Type: article
Abstract: High Resolution Image Download MS PowerPoint Slide The locations and occupancies of deuterium atoms in molybdenum deuteride were studied using time-of-flight neutron powder diffraction under pressures up to ∼6.2 GPa. We confirmed the P 6 3 / mmc space group and determined the overstoichiometric deuterium content to give a composition of MoD 1.15, showing that our data are sensitive to deuterium positions and occupancies. In MoD 1.15, the majority of the interstitial deuterium atoms occupy the octahedral sites, and the remainder occupy the tetrahedral sites and exhibit relatively short interatomic distances of 1.49 and 1.90 Å to molybdenum atoms.
Source: Inorganic Chemistry
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $4,500
Awards: G161834286, G2036389596
OpenAlex ID: W4417474657