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The 4f and 5d electron density distribution (EDD) in MB6 (M=Ce, Sm) were investigated by the X-ray Atomic Orbital analysis (XAO). In XAO each atom is divided into the groups of sub-shell electrons (s/p/d/f) and they are treated as an pseudo-atoms, which enables to analyze non-stoichiometric compounds keeping the crystal neutral. Since orthonormal condition is obeyed in XAO, the electron population on each AO is obtained reliably, which cannot be done by spectroscopic methods. The EDD of CeB6 measured at several temperatures from 100 K to 535 K revealed the flow of Ce4f electrons to B-B bonds connecting B6 octahedrons below room temperature. However, above room temperature electrons are donated to Ce-5d orbitals and fill the 5d(j=5/2)Γ8 and Γ7 orbitals at 430 and 535 K, respectively[1]. On the other hand, SmB6 exhibited electron flow from B6 to Sm and filled 5d(j=5/2)Γ8・orbitals below room temperature while 4f populations do not change significantly. The occupied 5d orbitals seem to be common among the rareearth complexes. The energy difference between 4f and 5d states in [Ce(OH2) 9] were 3.7-4.0 eV[2]. If electrons of fully occupied 5d orbitals are transferred to 4f orbitals, the emitted UV light can be an energy source getting energy from discarded heat below 473K. Rareearth complexes can be effective quantum energy materials. [1] Makita, R., Tanaka, K., Onuki, Y & Tatewaki, H. (2007). Acta Cryst. B63, 683-692. [2] Okada, K., Kaizu, Y., Kobayashi, H., Tanaka, K. & Marumo, F. (1985). Mol. Phys. 54,

XAO analysis of the 5doccupation in rare earth complexes with high potential as quantum