Abstract
Crystal structure / Murataite / Mineral / Nuclear waste immobilization / Anion-centered tetrahedra Abstract. The structure of synthetic murataite-3C in- tended for long-term immobilization of high-level radioac- tive waste has been solved using crystals prepared by melting in an electric furnace at 1500 � C. The material is cubic, F 4m, a ¼ 14:676(15) A ˚ , V ¼ 3161:31(57) A ˚ 3 . The structure is based upon a three-dimensional framework consisting of a-Keggin (Al (4) Ti12 (6) O40) clusters linked by sharing the O5 atoms. The Keggin-cluster-framework in- terpenetrates with the metal-oxide substructure that can be considered as a derivative of the fluorite structure. The crystal chemical formula of synthetic murataite-3C derived from the obtained structure model can be written as (8) Ca6 (8) Ca4 (6) Ti12 (5) Ti4 (4) AlO42. Its comparison with the nat- ural murataite shows that the synthetic material has a no- ticeably less number of vacancies in the cation substruc- ture and contains five instead of four symmetrically independent cation positions. The presence of the addi- tional site essentially increases the capacity of synthetic murataite with respect to large heavy cations such as acti- nides, rare earth and alkaline earth metals in comparison with the material of natural origin.
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