Deformed lattice structure of C603−

Using a tight-binding model with electron-phonon coupling based on the modified Su-Schriffer-Heeger model Hamiltonian, we obtained the deformed lattice structures for C603− which is charge-transfer state for superconducting M3C60 compounds. The deformed structures are Ci (λ=0.1, 0.3) and C2v (λ=0.5), which are different to D5d of C601− in the same values of λ. Here λ means the dimensionless coupling constant (S2/KT). We also have shown the bond length difference between C603− and C60.