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Crystalline CsAlSiO 4  was synthesized from a stoichiometric mixture of Al 2 O 3  + SiO 2  + Cs 2 O (plus excess water) in Ag-capsules at hydrostatic pressure of 0.1 GPa and temperature of 695 °C. The duration of synthesis was 46 h. The crystal structure of CsAlSiO 4  was investigated by single-crystal X-ray diffraction. The structure is orthorhombic with Pc2 1 n space group and lattice parameters: a = 9.414(1), b = 5.435(1), and c = 8.875(1) Å. Because of the orthohexagonal relation between b and a (a ≈ b√3), within the standard uncertainty on the lattice parameters, a hexagonal superlattice exists, which is responsible for twinning. The crystals are twinned by reflection, with twin planes (110) and (310): twinning in both cases is by reticular merohedry with twin index 2 and hexagonal twin lattice (LT). The transformation from the lattice of the individual (L ind ) to L T  is given by: a T  = a ind  - bind, b T  = 2b ind , and c T  = c ind . The refinement was initiated using the previously published atomic coordinates for RbAlSiO 4 . The final least-square cycles were conducted with anisotropic displacement parameters. R 1  = 3.04% for 66 parameters and 2531 unique reflections. For a more reliable crystallographic comparison the crystal structure of RbAlSiO 4  is reinvestigated here adopting the same data collection and least-squares refinement strategy as for CsAlSiO 4 . The crystal structure of the CsAlSiO 4  feldspathoid is built on an ABW framework type, showing a fully ordered Si/Al-distribution in the tetrahedral framework. The only extra-framework site is occupied by Cs, lying off-center in the 8mR-channels. CsAlSiO 4  is more likely to retain Cs when immersed in a fluid phase, relative to several other Cs-bearing zeolites. The topological configuration of the Cspolyhedron (and its bonding environment), the small dimension of the pores and the high flexibility of the ABW framework type would imply a better thermal and elastic stability of CsAlSiO 4  than those of the zeolitic Cs-aluminosilicates. In this light, CsAlSiO 4  can be considered as a functional material potentially usable for fixation and deposition of radioactive isotopes of Cs and can also be considered as a potential solid host for a  137 Cs γ-radiation source to be used in sterilization applications.

Synthesis and crystal structure of the feldspathoid CsAlSiO 4 : An open-framework silicate and potential nuclear waste disposal phase