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

Abstract: 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 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 ?0 = [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 (?0) 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.

Otras publicaciones de la misma revista o congreso con autores/as de la Universidad de Cantabria

 Fuente: Inorg. Chem., 2018, 57 (21), pp 14005?14012

Editorial: American Chemical Society

 Fecha de publicación: 29/10/2018

Nº de páginas: 8

Tipo de publicación: Artículo de Revista

DOI: 10.1021/acs.inorgchem.8b01808

ISSN: 0020-1669,1520-510X

Proyecto español: MAT2016-75586-C4-1-P/2-P

Url de la publicación: Https://doi.org/10.1021/acs.inorgchem.8b01808

Autores/as

MARTÍNEZ GARCÍA, DOMINGO

MARQUEÑO, TOMÁS

ERRANDONEA, DANIEL

MACLEOD, SIMON G.

BERNERT, THOMAS

HAUSSÜHL, EIKEN

SANTAMARÍA PÉREZ, DAVID

IBÁÑEZ, JORDI

MALLAVARAPU. ANITHA

ACHARY, S. NAGABHUSAN

POPESCU, CATALIN

BETTINELLI, MARCO