Abstract
The crystal structures of zeolite Y Ni2+ exchanged at pH 4.9, fully dehydrated (|Ni29.7(Ni4AlO4)1.1H12.3|[Si117Al75O384]-FAU) and partially dehydrated (|Ni14.1(NiOH2)16.4(Ni4AlO4)1.1(H3O)9.6|[Si117Al75O384]-FAU), were determined by single-crystal synchrotron X-ray diffraction techniques. They were refined to the final error indices R1/wR2 = 0.044/0.115 and 0.052/0.153, respectively, in the cubic space group Fd3m. Some dealumination of the zeolite framework occurred during Ni2+ exchange. In the fully dehydrated structure, Ni2+ ions primarily occupy sites I and II, with additional Ni2+ ions at site I′, site II′, and a second site II. In the partially dehydrated structure, Ni2+ occupies six different sites: I, I′, a second site I′, II, a second site II, and III′. Because of the low pH of the Ni2+ exchange solution, some H3O+ ions are observed in partially dehydrated Ni2+–Y; correspondingly, some H+ ions are required for charge balance in fully dehydrated Ni2+–Y. The nonframework oxygen atoms in water and or...
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