6533b873fe1ef96bd12d597b

RESEARCH PRODUCT

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

Daniel HäusermannDaniel ErrandoneaDaniel ErrandoneaMaddury SomayazuluFrancisco Javier Manjón

subject

Condensed Matter - Materials ScienceWolframitePhase transitiondigestive oral and skin physiologyInorganic chemistryMaterials Science (cond-mat.mtrl-sci)FOS: Physical sciencesThermodynamicsElectronic structureengineering.materialCondensed Matter PhysicsFergusonitePressure responseElectronic Optical and Magnetic MaterialsInorganic Chemistrychemistry.chemical_compoundchemistryScheelitePhase (matter)X-ray crystallographyMaterials ChemistryCeramics and CompositesengineeringPhysical and Theoretical Chemistry

description

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.

yearjournalcountryeditionlanguage
2003-06-09Journal of Solid State Chemistry
https://doi.org/10.1016/j.jssc.2003.10.017