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Tourmalines, XY 3 Z 6 T 6 O 18 (BO 3 ) 3 V 3 W, are excellent petrogenetic indicators as they capture the signature of the host-rock bulk composition. Raman spectra of tourmalines can be used as fingerprints for species identification and crystal-chemical analysis. While Li-bearing species are directly distinguishable by the shape of the OH-stretching vibrations, the discrimination of Mg- and Fe-dominant species can be hindered by the coexistence of at least two types of octahedrally coordinated R n+  cations.

american mineralogist

Influence of the octahedral cationic-site occupancies on the framework vibrations of Li-free tourmalines, with implications for estimating temperature and oxygen fugacity in host rocks