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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.
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
Leer publicación
JAVIER RUIZ FUERTES
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
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