Single-crystal polarized FTIR spectroscopy and neutron diffraction refinement of cancrinite |
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| Authors: | Giancarlo Della Ventura G. Diego Gatta Gunter J. Redhammer Fabio Bellatreccia Anja Loose Gian Carlo Parodi |
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| Affiliation: | 1.Dipartimento di Scienze Geologiche,Università Roma Tre,Rome,Italy;2.Dipartimento di Scienze della Terra,Università degli Studi di Milano,Milan,Italy;3.Division of Mineralogy, Department of Materials Engineering and Physics,University Salzburg,Salzburg,Austria;4.Institute of Solid State Research (IFF),Forschungszentrum Jülich,Jülich,Germany;5.Laboratoire de Minéralogie,Museum National d’Histoire Naturelle,Paris,France |
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| Abstract: | We relate a single-crystal FTIR (Fourier transform infrared) and neutron diffraction study of two natural cancrinites. The structural refinements show that the oxygen site of the H2O molecule lies off the triad axis. The water molecule is almost symmetric and slightly tilted from the (0001) plane. It is involved in bifurcated hydrogen bridges, with Ow···O donor–acceptor distances >2.7 Å. The FTIR spectra show two main absorptions. The first at 3,602 cm?1 is polarized for E ⊥ c and is assigned to the ν3 mode. The second, at 3,531 cm?1, is also polarized for E ⊥ c and is assigned to ν1 mode. A weak component at 4,108 cm?1 could possibly indicate the presence of additional OH groups in the structure of cancrinite. Several overlapping bands in the 1,300–1,500 cm?1 range are strongly polarized for E ⊥ c, and are assigned to the vibrations of the CO3 group. |
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| Keywords: | Cancrinite Polarized FTIR Neutron diffraction Crystal-structure refinement H2O bonding system |
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