2026 Volume 121 Issue 1 Article ID: 260127a
The distributions of Mn2+, Fe2+, and Fe3+ in babingtonite Ca2.00Fe0.642+Fe0.983+Mn0.272+Mg0.09Al0.02Si5O14(OH) from the Yakuki mine, Fukushima, Japan are revealed via single-crystal anomalous X-ray scattering (AXS). The ordered distribution of Mn2+ at the Fe1 site is readily confirmed via Mn-AXS analysis based on the intensity difference observed in a pair of datasets measured at EM1 = 6.388 keV and EM2 = 6.513 keV below the Mn K absorption edge. The distributions of Fe2+ and Fe3+ are quantitatively determined for the first time using a dataset measured at EF3 = 7.116 keV, where a significant difference in the anomalous scattering factor is observed between Fe2+ and Fe3+. This study quantitatively determines the site occupancies of Mn2+, Fe2+, and Fe3+ in babingtonite based on experimental evidence obtained from advanced AXS analysis. The present AXS analysis confirms the structural-chemical formula Ca2.00(Fe0.642+Mn0.272+Mg0.092+)Fe1(Fe0.983+Al0.023+)Fe2Si5O14(OH) for babingtonite from the Yakuki mine.