IONIC CLUSTERS ISOLATED IN A METAL MATRIX - STRUCTURE AND VIBRATIONAL FREQUENCIES OF RB9O2 AND CS11O3 CLUSTERS IN ALKALI-METAL SUBOXIDES

The stable configurations of Rb9O2 and Cs 11O3 clusters are determined by minimizing the total energy assuming purely ionic, two particle interactions. The calculated interatomic distances and angles are found to correspond very closely with those which have been determined from a crystallographic study of alkali metal suboxides. Raman spectra are reported for Rb9O2, Cs 11O3, Cs7O, and Rb7Cs 11O3 and a comparison made with vibrational frequencies calculated using the same ionic model. The agreement is good. These results offer further evidence that the crystalline alkali metal suboxides may be thought of as composed of independent ionic clusters isolated in a metallic environment. © 1979 American Institute of Physics.