Abstract
Three Mg3(PO4)2 polymorphs (Mg3(PO4)2-I, II, III) were synthesized at high-pressure and high-temperature conditions. The structures and vibrational properties of Mg3(PO4)2 polymorphs were studied by X-ray diffraction (XRD), Raman spectroscopy, and density functional theory (DFT) calculations. The obvious different PO stretching vibrational modes were experimentally observed for Mg3(PO4)2-I, II, III. The calculated vibrational frequencies were in good agreement with measurements. All the observed vibrational modes for Mg3(PO4)2-I, II, III were well assigned based on the calculations, which provided a support for investigating and comparing vibrational properties of three Mg3(PO4)2 polymorphs.
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