“…3(B), (C) and 4(A), (B)). Among them, the studied active metals are Fe–Ni, 88–90 Fe–Zr, 91 Fe–Mn, Fe–Co, 92 Cu–Zn, 92,93 Mn–Zn, 94 and Co–Mn–Zn. 95 The electron density difference map of [Fe 2 Ni 4 ], as calculated and simulated, shows that the electron density at the Fe center decreases, while that at the Ni center increases.…”