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 |