Vibrational spectra of a baghdadite synthetic analogue

Single Ca3ZrSi2O9 phase, baghdadite, was synthesized by the standard ceramic route at a high temperature. Calcium zirconosilicate, Ca3ZrSi2O9, was characterized by FT-IR and Raman spectroscopy. The ab initio calculations of IR and Raman spectra for the baghdadite crystal structure were carried out by means of the Crystal09 program. The obtained results were used in the analysis of experimental vibrational spectra of baghdadite samples.