On the labyrinthine structure of the zeolite paulingite, (Ca,K,Na,Ba)10(Si,Al)42O84·34H2O
Paulingite, (K,Na,Ca0.5,Ba0.5)10(Al10Si32O84)·nH2O (with n = 27¿44, Z = 16), is a chemically complex zeolite mineral. Despite the geochemical and industrial interest on this mineral (or its synthetic counterpart), only a few studies were devoted to it. Its structure was solved by single-crystal X-ray diffraction (s.g. Im-3m, a=34.8 Å), and is considered the most complex one among the zeolitic frameworks. The main limit of the previous X-ray studies is that the H sites in paulingite structure were never located; therefore, its H-bonding network is completely unknown. The aim of the present study is a reinvestigation of the crystal structure/chemistry of paulingite by single-crystal neutron diffraction (20 K) and other techniques, in order to provide: a) an unambiguous location of all the proton sites and the description of the complex H-bonding network; b) the anisotropic displacement parameters of all the atomic sites, including the H-sites; c) a description of the crystal chemistry of this zeolite based on modern analytical protocols; d) its thermal behaviour along with the mechanisms, at the atomic scale, which govern any potential structure transformations.
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GATTA Giacomo Diego; Cañadillas-Delgado, L.; Comboni Davide and FABELO ROSA Oscar Ramon. (2023). On the labyrinthine structure of the zeolite paulingite, (Ca,K,Na,Ba)10(Si,Al)42O84·34H2O. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-11-450
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