In Situ Raman Spectroscopic Study of Barite as a Pressure Gauge Using a Hydrothermal Diamond Anvil Cell.

In situ Raman measurements of barite were performed at temperatures in the range of 298-673 K and pressures in the range of 105-1217 MPa using a hydrothermal diamond anvil cell combined with laser Raman spectroscopy. The Raman frequency and the full width at half maximum (FWHM) of the most intense ν1 Raman peak for barite as a function of pressure and temperature were obtained. In the experimental P-T ranges, the ν1Raman band systematically shifted toward low wavenumbers with increasing pressure and temperature. The positive pressure dependence of ν1Raman frequency indicates stress-induced shortening of the S-O bond, whereas the negative temperature dependence shows temperature-induced expansion of the S-O bond. In contrast, the observed ν1Raman band became broadened, which should be attributed to the reduced ordering of molecular structure. Based on the obtained data, the established relationships among the Raman shift or the FWHM, pressure and temperature can be used to obtain good estimates of the internal pressure in natural barite-bearing fluid inclusions or hydrothermal diamond anvil cell. This is a sensitive and reliable approach to the accurate determination of geological pressure.