G. Nowitzke et al., X-RAY-ABSORPTION STUDY OF THE LOCAL-STRUCTURE AT POTASSIUM AND RUBIDIUM IN K3-XRBXC60, Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals, 244, 1994, pp. 321-326
X-ray absorption fine structure (EXAFS and XANES) studies of the K-edg
es of potassium and rubidium in K3C60, K2RbC60 and Rb3C60 reveal the l
ocal structure and sire preferences of the alkali metals. Both K and R
b ions on tetrahedral interstices exhibit regular positions with respe
ct to the C-60 neighbours in agreement with crystallographic data, whi
le for Rb ions located on octahedral interstices on off-center positio
n is found. The K2RbC60 sample exhibits a clear preferential site occu
pation of the octahedral site by Rb, which is also reflected by the la
ttice constant, and indications for structural rearrangement of the Rb
ions on octahedral sites around 50 K.