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

AuthorsRuiz-Fuertes, J.; Martínez-García, D.; Marqueño, T.; Errandonea, D.; MacLeod, S. G.; Bernert, T.; Haussühl, E.; Santamaría-Pérez, D.; Ibáñez Insa, Jordi ; Mallavarapu, A.; Achary, S. N.; Popescu, C.; Bettinelli, M.
high pressure
Issue DateNov-2018
PublisherAmerican Chemical Society
CitationInorganic Chemistry, 57(21): 14005-14012 (2018)
AbstractThe 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 K0 of 158(13) GPa for the zircon phase and 158(17) GPa for the scheelite phase, with a temperature derivative of dK0/dT = -[3.8(2)] × 10-3 GPa K-1 and a volumetric thermal expansion of α0 = [0.9(2)] × 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 (α0) for zircon-type ErVO4 in the 300-395 K range is [1.4(2)] × 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. Copyright © 2018 American Chemical Society.
Publisher version (URL)http://dx.doi.org/10.1021/acs.inorgchem.8b01808
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