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

• Published in: Inorganic chemistry 2018-11, Vol.57 (21), p.14005-14012
• Main Authors: Ruiz-Fuertes, Javier, 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
• Format: Article
• Language: English
• ISSN: 0020-1669; 1520-510X
• DOI: 10.1021/acs.inorgchem.8b01808

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)] × 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.