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Effects of pressure on the local atomic structure of CaWO4 and YLiF4: Mechanism of the scheelite-to-wolframite and scheelite-to-fergusonite transitions

D. Errandonea·F. J. Manjon·M. Somayazulu·D. Hausermann
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Abstract

The pressure response of the scheelite phase of CaWO4 (YLiF4) and the occurrence of the pressure induced scheelite-to-wolframite (M-fergusonite) transition are reviewed and discussed. It is shown that the change of the axial parameters under compression is related with the different pressure dependence of the W-O (Li-F) and Ca-O (Y-F) interatomic bonds. Phase transition mechanisms for both compounds are proposed. Furthermore, a systematic study of the phase transition in 16 different scheelite ABX4 compounds indicates that the transition pressure increases as the packing ratio of the anionic BX4 units around the A cations increases.

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D. Errandonea, F. J. Manjon, M. Somayazulu, D. Hausermann. 2004-03-08. Effects of pressure on the local atomic structure of CaWO4 and YLiF4: Mechanism of the scheelite-to-wolframite and scheelite-to-fergusonite transitions. https://doi.org/10.1016/j.jssc.2003.10.017

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