Phase transformations and indications for acoustic mode softening in Tb-Gd orthophosphate

Tschauner, Oliver; Ushakov, Sergey V.; Navrotsky, Alexandra; Boatner, Lynn A.

doi:10.1088/0953-8984/28/3/035403

Phase transformations and indications for acoustic mode softening in Tb-Gd orthophosphate

Journal Article · Tue Jan 05 19:00:00 EST 2016 · Journal of Physics. Condensed Matter

DOI:https://doi.org/10.1088/0953-8984/28/3/035403· OSTI ID:1265508

Tschauner, Oliver ^[1]; Ushakov, Sergey V. ^[2]; Navrotsky, Alexandra ^[2]; Boatner, Lynn A. ^[3]

Univ. of Nevada, Las Vegas, NV (United States). Dept. of Geoscience and High Pressure Science and Engineering Center
Univ. of California, Davis, CA (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division

At ambient conditions the anhydrous rare-earth orthophosphates assume either the xenotime (zircon) or the monazite structure, with the latter favored for the heavier rare earths. Tb_0.5Gd_0.5PO₄ assumes the xenotime structure at ambient conditions but is at the border between the xenotime and monazite structures. Here we show that, at high pressure, Tb_0.5Gd_0.5PO₄ does not transform directly to monazite but through an intermediate anhydrite-type structure. We show softening of (c₁₁₃₃ + c₁₃₁₃) combined elastic moduli close to the transition from the anhydrite to the monazite structure. Stress response of rare-earth orthophosphate ceramics can be affected by both formation of the anhydrite-type phase and the elastic softening in the vicinity of the monazite-phase. In conclusion, we report the first structural data for an anhydrite-type rare earth orthophosphate.

View Accepted Manuscript (DOE)

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); USDOE Advanced Research Projects Agency - Energy (ARPA-E)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1265508

Alternate ID(s):: OSTI ID: 1234744
OSTI ID: 1238942
OSTI ID: 22505172

Journal Information:: Journal of Physics. Condensed Matter, Journal Name: Journal of Physics. Condensed Matter Journal Issue: 3 Vol. 28; ISSN 0953-8984

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

References (34)

On the miscibility gap in monazite–xenotime systems Mogilevsky, P. Physics and Chemistry of Minerals, Vol. 34, Issue 3 https://doi.org/10.1007/s00269-006-0139-1	journal	February 2007
Structural refinements of praseodymium and neodymium orthophosphate Mullica, D. F.; Grossie, David A.; Boatner, L. A. Journal of Solid State Chemistry, Vol. 58, Issue 1 https://doi.org/10.1016/0022-4596(85)90269-5	journal	June 1985
Systématique simplifiée des composés ABX4 (X = O2−, F−) et evolution possible de leurs structures cristallines sous pression Bastide, J. P. Journal of Solid State Chemistry, Vol. 71, Issue 1 https://doi.org/10.1016/0022-4596(87)90149-6	journal	November 1987
Crystal data for lanthanide orthophosphates with the zircon-type structure Milligan, W. O.; Mullica, D. F.; Perkins, H. O. Inorganica Chimica Acta, Vol. 77 https://doi.org/10.1016/S0020-1693(00)82556-6	journal	January 1983
The structures of three lanthanide orthophosphates Milligan, W. O.; Mullica, D. F.; Beall, G. W. Inorganica Chimica Acta, Vol. 70 https://doi.org/10.1016/S0020-1693(00)82791-7	journal	January 1983
Structural investigations of YPO4, ScPO4, and LuPO4 Milligan, W. O.; Mullica, D. F.; Beall, G. W. Inorganica Chimica Acta, Vol. 60 https://doi.org/10.1016/S0020-1693(00)91148-4	journal	January 1982
Monazite-containing oxide/oxide composites Davis, J. B.; Marshall, D. B.; Morgan, P. E. D. Journal of the European Ceramic Society, Vol. 20, Issue 5 https://doi.org/10.1016/S0955-2219(99)00256-3	journal	May 2000
Phase transformations in xenotime rare-earth orthophosphates Hay, R. S.; Mogilevsky, P.; Boakye, E. Acta Materialia, Vol. 61, Issue 18 https://doi.org/10.1016/j.actamat.2013.08.005	journal	October 2013
Crystal chemistry of the monazite structure Clavier, Nicolas; Podor, Renaud; Dacheux, Nicolas Journal of the European Ceramic Society, Vol. 31, Issue 6, p. 941-976 https://doi.org/10.1016/j.jeurceramsoc.2010.12.019	journal	June 2011
Transformation plasticity in TbPO4 and (Gd,Dy)PO4 orthophosphates during indentation of polycrystalline specimens Hay, R. S.; Boakye, E. E.; Mogilevsky, P. Journal of the European Ceramic Society, Vol. 34, Issue 3 https://doi.org/10.1016/j.jeurceramsoc.2013.09.008	journal	March 2014
Pressure effects on the structural and electronic properties of ABX₄ scintillating crystals Errandonea, Daniel; Manjón, Francisco Javier Progress in Materials Science, Vol. 53, Issue 4, p. 711-773 https://doi.org/10.1016/j.pmatsci.2008.02.001	journal	May 2008
Bonding Characteristics, Thermal Expansibility, and Compressibility of RXO ₄ (R = Rare Earths, X = P, As) within Monazite and Zircon Structures Li, Huaiyong; Zhang, Siyuan; Zhou, Shihong Inorganic Chemistry, Vol. 48, Issue 10 https://doi.org/10.1021/ic900337j	journal	May 2009
On transformation plasticity Poirier, J. P. Journal of Geophysical Research: Solid Earth, Vol. 87, Issue B8 https://doi.org/10.1029/JB087iB08p06791	journal	August 1982
EPR investigations of Gd ³⁺ in single crystals and powders of the zircon–structure orthophosphates YPO ₄ , ScPO ₄ , and LuPO ₄ Rappaz, M.; Boatner, L. A.; Abraham, M. M. The Journal of Chemical Physics, Vol. 73, Issue 3 https://doi.org/10.1063/1.440259	journal	August 1980
High pressure single-crystal micro X-ray diffraction analysis with GSE_ADA/RSV software Dera, Przemyslaw; Zhuravlev, Kirill; Prakapenka, Vitali High Pressure Research, Vol. 33, Issue 3 https://doi.org/10.1080/08957959.2013.806504	journal	August 2013
Physics of solids under strong compression Holzapfel, W. B. Reports on Progress in Physics, Vol. 59, Issue 1 https://doi.org/10.1088/0034-4885/59/1/002	journal	January 1996
Raman study of tetragonal TbPO ₄ and observation of a first-order phase transition at high pressure Tatsi, A.; Stavrou, E.; Boulmetis, Y. C. Journal of Physics: Condensed Matter, Vol. 20, Issue 42 https://doi.org/10.1088/0953-8984/20/42/425216	journal	September 2008
Generalized phase diagram for the rare-earth elements: Calculations and correlations of bulk properties Johansson, Börje; Rosengren, Anders Physical Review B, Vol. 11, Issue 8 https://doi.org/10.1103/PhysRevB.11.2836	journal	April 1975
Equations of state of six metals above 94 GPa Dewaele, Agnès; Loubeyre, Paul; Mezouar, Mohamed Physical Review B, Vol. 70, Issue 9 https://doi.org/10.1103/PhysRevB.70.094112	journal	September 2004
High-pressure stability and compressibility ofAPO4 (A=La, Nd, Eu, Gd, Er, and Y) orthophosphates: An x-ray diffraction study using synchrotron radiation Lacomba-Perales, R.; Errandonea, D.; Meng, Y. Physical Review B, Vol. 81, Issue 6, Article No. 064113 https://doi.org/10.1103/PhysRevB.81.064113	journal	February 2010
Theoretical and experimental study of the structural stability of TbPO4 at high pressures López-Solano, J.; Rodríguez-Hernández, P.; Muñoz, A. Physical Review B, Vol. 81, Issue 14, Article No.144126 https://doi.org/10.1103/PhysRevB.81.144126	journal	April 2010
International Tables for Crystallography: Volume A: Space-group symmetry Hahn, Th. https://doi.org/10.1107/97809553602060000100	book	December 2005
AMPLIMODES : symmetry-mode analysis on the Bilbao Crystallographic Server Orobengoa, Danel; Capillas, Cesar; Aroyo, Mois I. Journal of Applied Crystallography, Vol. 42, Issue 5 https://doi.org/10.1107/S0021889809028064	journal	September 2009
Combined method for ab initio structure solution from powder diffraction data Putz, H.; Schön, J. C.; Jansen, M. Journal of Applied Crystallography, Vol. 32, Issue 5 https://doi.org/10.1107/S0021889899006615	journal	October 1999
Structures of ErPO4, TmPO4, and YbPO4 Milligan, W. O.; Mullica, D. F.; Beall, G. W. Acta Crystallographica Section C Crystal Structure Communications, Vol. 39, Issue 1 https://doi.org/10.1107/S0108270183003467	journal	January 1983
A short history of SHELX Sheldrick, George M. Acta Crystallographica Section A Foundations of Crystallography, Vol. 64, Issue 1, p. 112-122 https://doi.org/10.1107/S0108767307043930	journal	December 2007
Mode crystallography of distorted structures Perez-Mato, J. M.; Orobengoa, D.; Aroyo, M. I. Acta Crystallographica Section A Foundations of Crystallography, Vol. 66, Issue 5 https://doi.org/10.1107/S0108767310016247	journal	July 2010
Machinable Ceramics Containing Rare-Earth Phosphates Davis, Janet B.; Marshall, David B.; Housley, Robert M. Journal of the American Ceramic Society, Vol. 81, Issue 8 https://doi.org/10.1111/j.1151-2916.1998.tb02602.x	journal	August 1998
Effectiveness of Monazite Coatings in Oxide/Oxide Composites after Long-Term Exposure at High Temperature Keller, Kristin A.; Mah, Tai-Il; Parthasarathy, Triplicane A. Journal of the American Ceramic Society, Vol. 86, Issue 2 https://doi.org/10.1111/j.1151-2916.2003.tb00018.x	journal	February 2003
Crystal chemistry of REEXO4 compounds (X = P,As, V). II. Review of REEXO4 compounds and their stability fields [Crystal chemistry of REEXO4 compounds (X = P,As, V). II. Review of REEXO4 compounds and their stability fields] Kolitsch, Uwe; Holtstam, Dan European Journal of Mineralogy, Vol. 16, Issue 1 https://doi.org/10.1127/0935-1221/2004/0016-0117	journal	February 2004
Monazite as a suitable actinide waste form Schlenz, Hartmut; Heuser, Julia; Neumann, Andreas Zeitschrift für Kristallographie - Crystalline Materials, Vol. 228, Issue 3 https://doi.org/10.1524/zkri.2013.1597	journal	March 2013
Thermochemistry of rare-earth orthophosphates Ushakov, S. V.; Helean, K. B.; Navrotsky, A. Journal of Materials Research, Vol. 16, Issue 9 https://doi.org/10.1557/JMR.2001.0361	journal	September 2001
Crystal chemistry of the monazite and xenotime structures Ni, Yunxiang; Hughes, John M.; Mariano, Anthony N. American Mineralogist, Vol. 80, Issue 1-2 https://doi.org/10.2138/am-1995-1-203	journal	February 1995
Monazite-xenotime thermobarometry; experimental calibration of the miscibility gap in the binary system CePO ₄ -YPO ₄ Gratz, Rene; Heinrich, Wilhelm American Mineralogist, Vol. 82, Issue 7-8 https://doi.org/10.2138/am-1997-7-816	journal	August 1997

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