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

The Mulliken bond population of the 5Au/α-Fe2O3 (001) surface model.

Bond types Population Bond length (Å)
Fe1–Au4 0.13 2.818
Fe2–Au2 0.13 2.821
Au2–Au4 0.37 2.730
Au1–Au4 0.34 2.706
Au1–Au3 0.25 2.744
Au1–Au5 0.30 2.735
Au3–Au5 0.41 2.733