Pressure-induced phase transitions in α-ZrMo2O8

• We report high-pressure Raman, infrared (IR), and optical-absorption spectra of α-ZrMo2O8 (trigonal) up to 38 GPa at room temperature. The spectroscopic studies are consistent with diffraction results that show that α-ZrMo2O8 transforms into δ-ZrMo2O8 (monoclinic) at about 1 GPa and the δ phase converts to the ε phase (triclinic) at about 2.0 GPa. Optical-absorption measurements give an estimate of the band gap of about 0.6 eV at the lowest pressure. Band-gap changes with pressure are confirmed with visual observations. ZrMo2O8 changes from transparent at 5 GPa to yellow at 10 GPa, red at 18 GPa, and at about 30 GPa it becomes opaque.

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