The real topological configuration of the extra-framework content in alkali-poor beryl: A multi-methodological study

摘要

The crystal structure of alkali/water-poor beryl (H₂O + Na₂O + Cs₂O 4(F_o). The topological configuration of the H₂O molecule into the channel is confirmed by the spectroscopic investigation. Polarized single-crystal IR spectra show that the H₂O molecule is oriented with the molecular symmetry axis perpendicular to the hexagonal axis and H···H vector parallel (or quasi-parallel) to [001].