Crystal stability and pressure-induced phase transitions in scheelite AWO4 (A = Ca, Sr, Ba, Pb, Eu) binary oxides. II: Towards a systematic understanding

Abstract

Recent experimental measurements and ab initio calculations in scheelite CaWO4, SrWO4, BaWO4, PbWO4, EuWO4 and YLiF4 crystals reveal the existence of complex high-pressure phase diagrams, which present striking differences but also relevant similarities. In this work we show that the high-pressure structural sequence in the studied scheelites can be understood on the basis of the positions of the different ABX4 compounds in Fukunaga and Yamaoka's diagram and in Bastide's diagram. Our study can help to understand the phase diagrams and high-pressure phase transitions occurring in ABX4 compounds with scheelite, wolframite, fergusonite, zircon, or pseudoscheelite structures. © 2007 WILEY-VCH Verlag GmbH & Co. KGaA.