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Influence of Non‐Tetrahedral Cations on Si–O Vibrations in Complex Silicates
Author(s) -
Mihailova B.,
Gasharova B.,
Konstantinov L.
Publication year - 1996
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/(sici)1097-4555(199611)27:11<829::aid-jrs25>3.0.co;2-p
Subject(s) - raman spectroscopy , tetrahedron , octahedron , chemistry , cluster (spacecraft) , crystallography , silicon , ring (chemistry) , molecular vibration , tourmaline , silicate , materials science , crystal structure , physics , programming language , organic chemistry , computer science , optics , metallurgy
The effect of non‐tetrahedral cations on the silicon–oxygen vibrational modes in complex silicates was modelled in a small‐cluster approximation by introducing a shell containing first‐ and second‐order neighbours of the peripheral oxygen atoms of the Si—O cluster. As an example, the proposed method was applied to study the Raman spectra of different types of tourmaline, which contain in their structure single six‐membered rings of SiO 4 tetrahedra. It is shown that in the range 450–750 cm −1 the Raman spectrum of the ring is sensitive to the type of cations in octahedral Y‐positions and as a result the peaks shift and their shape modifies. Using such changes, one can estimate the occupation of Y positions in tourmalines by various cations.