Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, Vol.244, 313-320, 1994
I-129 Mossbauer and X-Ray-Diffraction Studies of the Iodine-Fullerene Compound C-60(I-2)(Approximate-to-2)
I-129-Mossbauer spectroscopy was applied to study the chemical nature of iodine in C-60(I-2)(similar to 2). Spectra in the temperature region 4.2 K - 120 K reveal the presence of two inequivalent sites of iodine with hyperfine parameters related to those of molecular iodine. The two sites have different local symmetry and different anisotropic binding strength. These findings are discussed in conjunction with a recent x-ray diffraction study of single-crystalline C-60(I-2)(similar to 2) yielding also two inequivalent iodine sites with drastically different vibrational amplitudes. The synopsis of the informations obtained from both studies reveals a detailed structural model for the arrangement of the inserted I-2 molecules in the hexagonal lattice of C-60(I-2)(similar to)2.