@article{gledocs_11858_11390, author = {Abeykoon, Sumith and Howard, Christopher and Dominijanni, Serena and Eberhard, Lisa and Kurnosov, Alexander and Frost, Daniel J. and Ballaran, Tiziana Boffa and Terasaki, Hidenori and Sakamaki, Tatsuya and Suzuki, Akio and Ohtani, Eiji and Sano‐Furukawa, Asami and Abe, Jun}, title = {Deuterium Content and Site Occupancy in Iron Sulfide at High Pressure and Temperature Determined Using In Situ Neutron Diffraction Measurements}, year = {2023-09-21}, volume = {128}, number = {9}, pages = {-}, publisher = {}, publisher = {}, abstract = {
We have performed in situ time‐of‐flight neutron diffraction experiments to examine the uptake of deuterium in iron monosulfide at pressures up to 11.4 GPa and temperatures to 1300 K. A D2 fluid was formed in the experiments through the decomposition of ND3BD3, resulting in an oxygen fugacity of approximately 1.2 log units below the iron‐wüstite buffer. Deuterium positions and site occupancies were determined in FeS V, using Rietveld refinements of the powder neutron diffraction patterns. Our structural model indicates that two normally unoccupied sites in the