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. 2022 Feb 16;12(9):5447–5457. doi: 10.1039/d1ra07933f

The Mulliken bond population of the 4Au/α-Fe2O3 (001) surface model.

Bond types Population Bond length (Å)
Fe2–Au2 0.12 2.814
Fe3–Au3 0.12 2.793
Au1–Au4 0.35 2.727
Au1–Au3 0.28 2.740
Au2–Au3 0.27 2.779
Au1–Au2 0.26 2.804
Au2–Au4 0.26 2.804