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Site disorder revealed through Raman spectra from oriented single crystals: A case study on karooite (MgTi₂O₅)

¹ High Pressure Collaboration Access Team (HPCAT) and Geophysical Laboratory, Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439, U.S.A.
² Center for the Study of Matter at Extreme Conditions (CeSMEC), Florida International University, Miami, Florida 33199, U.S.A.
³ Department of Geosciences, University of Arizona, Tucson, Arizona 85721, U.S.A.

Correspondence: ^* E-mail: pliermann{at}hpcat.aps.anl.gov

Raman spectroscopic data were collected from five oriented single crystals of karroite (MgTi₂O₅) with different ordering states obtained by quenching crystals from 600, 700, 800, 1000, and 1400 °C. The Raman spectra were normalized and treated as vectors. The inner products among the Raman spectra are shown to correlate linearly with the ordered state of the crystals, suggesting that such an analysis of Raman spectra can, in principle, be used to rapidly estimate the ordering state of a mineral, and thus many other crystal properties related to the atomic order-disorder.

Key Words: Raman spectroscopy • cation ordering state • karooite • pseudobrookite