, Volume 37, Issue 3, pp 129-136
Date: 15 Jul 2009

The stability and equation of state for the cotunnite phase of TiO2 up to 70 GPa

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Abstract

The stability and equation of state for the cotunnite phase in TiO2 were investigated up to a pressure of about 70 GPa by high-pressure in situ X-ray diffraction measurements using a laser-heated diamond anvil cell. The transition sequence under high pressure was rutile → α-PbO2 phase → baddeleyite phase → OI phase → cotunnite phase with increasing pressure. The cotunnite phase was the most stable phase at pressures from 40 GPa to at least 70 GPa. The equation of state parameters for the cotunnite phase were established on the platinum scale using the volume data at pressures of 37–68 GPa after laser annealing, in which the St value, an indicator of the magnitude of the uniaxial stress component in the samples, indicates that these measurements were performed under quasi-hydrostatic conditions. The third-order Birch-Murnaghan equation of state at K 0′ = 4.25 yields V 0 = 15.14(5) cm3/mol and K 0 = 294(9), and the second-order Birch-Murnaghan equation of state yields V 0 = 15.11(5) cm3/mol and K 0 = 306(9). Therefore, we conclude that the bulk modulus for the cotunnite phase is not comparable to that of diamond.