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 |
| 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 |