Framework ordering and H-bonding network in the zeolite stilbite, NaCa2Al5Si13O36• - 14H2O
The aim of the present study is a reinvestigation of the crystal structure of a the zeolite stilbite (NaCa2Al5Si13O36 x 14H2O) at 298 and 20 K by single-crystal neutron diffraction, in order to provide: a) a reliable description of the Si/Al-ordering of the tetrahedral framework (which governs the presence of Bronsted-Lewis acid sites and so the catalytic properties of this material); b) the location of the proton sites and the description of the complex H-bonding network; c) the anisotropic displacement parameters of all the atomic sites, including the H-sites. The vibrational regime of the extra-framework sites is significant at room-T in this class of materials, and so low-T data are needed. As X-ray diffraction data have proved to be inadequate to model the Si/Al-ordering and to locate directly the H atoms, single-crystal neutron diffraction represents the best experimental technique to answer the open questions about the crystal structure/crystal chemistry of stilbite.
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GATTA Giacomo Diego; FERNANDEZ DIAZ Maria Teresa; MERLINI MARCO and ROTIROTI Nicola. (2014). Framework ordering and H-bonding network in the zeolite stilbite, NaCa2Al5Si13O36• - 14H2O. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-11-406
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