Abstract
The title compound, sodium chromium/aluminium molybdenum/aluminium dodeca-oxide, Na(0.72)Cr(0.48)Al(1.74)Mo(2.77)O(12), was prepared by solid-state reaction. Its crystal structure is related to NaSICON-type compounds. The framework is built up from M1O(6) (M1 = Cr/Al) octa-hedra and M2O(4) (M2 = Mo/Al) tetra-hedra inter-connected by corners. The three-dimensional framework contains cavities in which sodium cations are located. Two validation models (BVS and CHARDI) were used to confirm the proposed structural model. The mobility of Na(+) ions in the structure has been investigated by theoretical means.