Abstract: By using computer modelling based on the lattice energy minimization technique,Berlinite and a series of aluminophosphate molecular sieve frameworks crystal lattice werecalculated including those of AlPO₄-31, AlPO₄-11, AlPO₄-C, AlPO₄-8, AlPO₄-5,AlPO₄-20, AlPO₄-16, AlPO₄-17, AlPO₄-35, AlPO₄-52, AlPO₄-18 and VPI-5, and the geometriesand lattice energies of them were predicted. The relationship between the calculated latticeenergies and frameworks was discussed. The results reveal that the lattice energy decreasesand the relative stability of framework increases with the increase of frameWork density.

Key words: Aluminophosphate molecular sieve, Lattice energy minimization, Lattice energy, Framework density, Relative stability