High-Pressure Structural and Thermodynamic Properties of Cerium Orthosilicates (CeSiO4)

Strzelecki, Andrew C.; Zhao, Xiaodong; Baker, Jason L.; Estevenon, Paul; Barral, Thomas; Mesbah, Adel; Popov, Dmitry; Chariton, Stella; Prakapenka, Vitali; Ahmed, Sohan; Yoo, Choong-Shik; Dacheux, Nicolas; Xu, Hongwu; Guo, Xiaofeng

doi:10.1021/acs.jpcc.2c06657

High-Pressure Structural and Thermodynamic Properties of Cerium Orthosilicates (CeSiO₄)

Journal Article · Thu Feb 16 04:00:00 EST 2023 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.2c06657· OSTI ID:2404404

Strzelecki, Andrew C. ^[1]; Zhao, Xiaodong ^[2]; Baker, Jason L. ^[3]; Estevenon, Paul ^[4]; Barral, Thomas ^[4]; ^[4]; Popov, Dmitry ^[5]; ^[6]; Prakapenka, Vitali ^[6]; Ahmed, Sohan ^[2]; ^[2]; ^[4]; Xu, Hongwu ^[7]; ^[2]

Washington State Univ., Pullman, WA (United States); Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Washington State Univ., Pullman, WA (United States)
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
University of Montpellier, Bagnols sur Cèze (France); Centre National de la Recherche Scientifique (CNRS) (France). Institute Chemistry Séparative De Marcoule (ICSM)
Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Univ. of Chicago, IL (United States)
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); Arizona State Univ., Tempe, AZ (United States)

Pressure-induced phase transitions from the zircon structure-type (I4₁/amd) to the scheelite structure type (I4₁/a) are known for many ternary oxides systems (ABO₄). In this work, we present the first high-pressure study on synthetic stetindite (CeSiO₄) by a combination of in situ high-pressure synchrotron powder X-ray diffraction up to 36 GPa, implemented with and without dual sided laser heating, and in situ high-pressure Raman spectroscopy up to 43 GPa. Two phase transitions were identified: zircon to a high-pressure low-symmetry (HPLS) phase at 15 GPa and then to a scheelite at 18 GPa. The latter from HPLS scheelite phase was found irreversible; i.e., scheelite is fully quenchable at ambient conditions, as in other zircon-type phases. The bulk moduli (K₀) of stetindite, HPLS, and high-pressure scheelite phases were determined, respectively, as 171(5), 105(4), and 221(40) GPa by fitting to a second-order Birch-Murnaghan equation of state. The pressure derivatives of vibrational modes and Gru''neisen parameters of the zircon-structured polymorph are similar to those of other orthosilicate minerals. In conclusion, due to the larger ionic radii of Ce⁴⁺, with respect to Zr⁴⁺, stetindite was found to possess a softer bulk modulus and undergo the phase transitions at a lower pressure than zircon (ZrSiO₄), such observations are consistent with what were found in coffinite (USiO₄).

View Accepted Manuscript (DOE)

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS); Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); National Science Foundation (NSF); USDOE Laboratory Directed Research and Development (LDRD) Program

Grant/Contract Number:: AC02-06CH11357; NA0003918; 89233218CNA000001

OSTI ID:: 2404404

Journal Information:: Journal of Physical Chemistry. C, Journal Name: Journal of Physical Chemistry. C Journal Issue: 8 Vol. 127; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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