20.500.12556/DiRROS-28865 Mesolite, |Na2Ca2(H2O)8|[Al6Si9O30] crystal structure reinvestigation and pressure-mediated crystal-fluid interaction The crystal structure and the pressure-mediated crystal-fluid interaction of mesolite have been re-investigated by a multi-methodological approach, based on single-crystal neutron diffraction and by in-situ single-crystal synchrotron X-ray diffraction, using a diamond anvil cell. The structure refinement based on neutron intensity data collected at 20 K confirms the general model previously reported for mesolite, but largely improves the description of the hydrogen-bond network (with accurate sites location, their libration regime and interactions). Twelve out of the nineteen oxygen sites in the crystal structure of mesolite are involved in H-bonds as donors or as acceptors, reflecting the complex configuration of the H-bonding network. In the high-pressure investigations, four different pressure-transmitting fluids have been employed: the non-penetrating Daphne oil 7575 and the potentially penetrating methanol:ethanol:H2O (1:1:1) mixture, distilled H2O and liquid Ne. The Daphne oil 7575 experiment provided insight into the intrinsic compressional behaviour of mesolite, without any pressure-induced crystal-fluid interaction, yielding an isothermal bulk modulus KV0 = 55.9(7) GPa (βV0 = 0.0179(2) GPa−1). In the aqueous mixtures, H2O molecules have been observed to continuously penetrate into the structural cavities, firstly in the natrolite- and then in the scolecite-type sheets, in the pressure range 0.8–1.9 GPa. By comparing the results of this study to the literature data, there is an apparent correlation between the pressure at which the adsorption process occurs and the H2O concentration of the pressure-transmitting medium: a higher H2O fraction allows the over-hydration of the scolecite-type sheets at lower pressures. When compressed in liquid Ne, atoms of neon appear to be able to penetrate into the natrolite-type sheets, interacting with the extra-framework population via weak van der Waals forces. zeolite mesolite single-crystal neutron diffraction high pressure compressibility cristal-fluid interaction zeolit mezolit difrakcija nevtronov na enokristalu visok tlak stisljivost interakcija med kristalom in tekočino true false true Elsevier Angleški jezik Slovenski jezik © 2025 Elsevier Inc. Neznano 2026-04-10 08:32:24 2026-04-10 09:13:51 2026-04-11 03:54:46 0000-00-00 00:00:00 2025 0 0 str. 1-11 [article no.] 113643 Vol. 393 Jul. 2025 0000-00-00 PostprintKoncna Objavljeno NiDoloceno 0000-00-00 0000-00-00 2025-04-15 2027-04-15 548/549 1873-3093 10.1016/j.micromeso.2025.113643 246834435 https://www.sciencedirect.com/science/article/pii/S138718112500157X 1 0b2883cc-34a7-11f1-b941-001a4af901a5 https://dirros.openscience.si/Dokument.php?lang=slv&id=43024 RAZ_Battiston_Tommaso_2025.pdf RAZ_Battiston_Tommaso_2025.pdf 1 E0FB4FC843DF2E8606C22BB60D5898B7 e505738b983682c2d6102c2c1674098d530deb6c0c66b9bf178fae42f5001b1a be15e60b-34ac-11f1-b941-001a4af901a5 https://dirros.openscience.si/Dokument.php?lang=slv&id=43025 Zavod za gradbeništvo Slovenije 0 0 0