The structure of CoSAPO-34, containing i-propylamine as a template

Abstract

The crystal structure of a cobalt silicoaluminophosphate, CoSAPO-34, is reported. The crystals belong to the rhombohedral R3 space group with unit cell parameters a = 13.797(7) and c = 14.898(7) A. The final R index was 0.055 for 771 independent reflections. The framework structure is very close to that of natural chabazite but with ordered tetrahedral sites, apparently (Al, Co) and (P, Si). The experimental evidence strongly supports the view that cobalt ions are incorporated into the framework. Each large cavity is occupied by one water molecule and by an isopropylamine molecule. The water 0 atom binds through weak hydrogen bonds to three 0 atoms of the six-membered ring, whereas the N atom binds in a similar way to the 0 atoms of the eight-membered window.