High-Pressure High-Temperature Stability and Thermal Equation of State of Zircon-Type Erbium Vanadate

Javier Ruiz-Fuertes*, Domingo Martinez-Garcia, Tomas Marqueno, Daniel Errandonea, Simon G. MacLeod, Thomas Bernert, Eiken Haussuehl, David Santamaria-Perez, Jordi Ibanez, Anitha Mallavarapu, S. Nagabhusan Achary, Catalin Popescu, Marco Bettinelli

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review


The zircon to scheelite phase boundary of ErVO4 has been studied by high-pressure and high-temperature powder and single-crystal X-ray diffraction. This study has allowed us to delimit the best synthesis conditions of its scheelite-type phase, determine the ambient-temperature equation of state of the zircon and scheelite-type structures, and obtain the thermal equation of state of the zircon-type polymorph. The results obtained with powder samples indicate that zircon-type ErVO4 transforms to scheelite at 8.2 GPa and 293 K and at 7.5 GPa and 693 K. The analyses yield bulk moduli K-0 of 158(13) GPa for the zircon phase and 158(17) GPa for the scheelite phase, with a temperature derivative of dK(0)/dT = -[3.8(2)] X 10(-3) GPa K-1 and a volumetric thermal expansion of alpha(0) = [0.9(2)] X 10(-5) K-1 for the zircon phase according to the Berman model. The results are compared with those of other zircon-type vanadates, raising the need for careful experiments with highly crystalline scheelite to obtain reliable bulk moduli of this phase. Finally, we have performed single-crystal diffraction experiments from 110 to 395 K, and the obtained volumetric thermal expansion (alpha(0)) for zircon-type ErVO4 in the 300-395 K range is [1.4(2)] X 10(-5) K-1, in good agreement with previous data and with our experimental value given from the thermal equation of state fit within the limits of uncertainty.

Original languageEnglish
Pages (from-to)14005-14012
Number of pages8
JournalInorganic Chemistry
Issue number21
Early online date29 Oct 2018
Publication statusPublished - 5 Nov 2018



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