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

Abstract

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. Tb0.5Gd0.5PO4 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, Tb0.5Gd0.5PO4 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.

Authors:
 [1];  [2];  [2];  [3]
  1. Univ. of Nevada, Las Vegas, NV (United States). Dept. of Geoscience and High Pressure Science and Engineering Center
  2. Univ. of California, Davis, CA (United States)
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA); USDOE Advanced Research Projects Agency - Energy (ARPA-E)
OSTI Identifier:
1265508
Alternate Identifier(s):
OSTI ID: 1238942
Grant/Contract Number:  
AC05-00OR22725; NA0001982; DESC0005278
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Physics. Condensed Matter
Additional Journal Information:
Journal Volume: 28; Journal Issue: 3; Journal ID: ISSN 0953-8984
Publisher:
IOP Publishing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Tschauner, Oliver, Ushakov, Sergey V., Navrotsky, Alexandra, and Boatner, Lynn A. Phase transformations and indications for acoustic mode softening in Tb-Gd orthophosphate. United States: N. p., 2016. Web. doi:10.1088/0953-8984/28/3/035403.
Tschauner, Oliver, Ushakov, Sergey V., Navrotsky, Alexandra, & Boatner, Lynn A. Phase transformations and indications for acoustic mode softening in Tb-Gd orthophosphate. United States. doi:https://doi.org/10.1088/0953-8984/28/3/035403
Tschauner, Oliver, Ushakov, Sergey V., Navrotsky, Alexandra, and Boatner, Lynn A. Wed . "Phase transformations and indications for acoustic mode softening in Tb-Gd orthophosphate". United States. doi:https://doi.org/10.1088/0953-8984/28/3/035403. https://www.osti.gov/servlets/purl/1265508.
@article{osti_1265508,
title = {Phase transformations and indications for acoustic mode softening in Tb-Gd orthophosphate},
author = {Tschauner, Oliver and Ushakov, Sergey V. and Navrotsky, Alexandra and Boatner, Lynn A.},
abstractNote = {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. Tb0.5Gd0.5PO4 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, Tb0.5Gd0.5PO4 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.},
doi = {10.1088/0953-8984/28/3/035403},
journal = {Journal of Physics. Condensed Matter},
number = 3,
volume = 28,
place = {United States},
year = {2016},
month = {1}
}

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Cited by: 5 works
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Works referenced in this record:

Monazite as a suitable actinide waste form
journal, March 2013

  • Schlenz, Hartmut; Heuser, Julia; Neumann, Andreas
  • Zeitschrift für Kristallographie - Crystalline Materials, Vol. 228, Issue 3
  • DOI: 10.1524/zkri.2013.1597

Monazite-containing oxide/oxide composites
journal, May 2000


Effectiveness of Monazite Coatings in Oxide/Oxide Composites after Long-Term Exposure at High Temperature
journal, February 2003


On the miscibility gap in monazite–xenotime systems
journal, February 2007


Machinable Ceramics Containing Rare-Earth Phosphates
journal, August 1998


Thermochemistry of rare-earth orthophosphates
journal, September 2001

  • Ushakov, S. V.; Helean, K. B.; Navrotsky, A.
  • Journal of Materials Research, Vol. 16, Issue 9
  • DOI: 10.1557/JMR.2001.0361

On transformation plasticity
journal, August 1982


Structural investigations of YPO4, ScPO4, and LuPO4
journal, January 1982


The structures of three lanthanide orthophosphates
journal, January 1983


Structures of ErPO4, TmPO4, and YbPO4
journal, January 1983

  • Milligan, W. O.; Mullica, D. F.; Beall, G. W.
  • Acta Crystallographica Section C Crystal Structure Communications, Vol. 39, Issue 1
  • DOI: 10.1107/S0108270183003467

Crystal data for lanthanide orthophosphates with the zircon-type structure
journal, January 1983


Structural refinements of praseodymium and neodymium orthophosphate
journal, June 1985


Crystal chemistry of the monazite and xenotime structures
journal, February 1995

  • Ni, Yunxiang; Hughes, John M.; Mariano, Anthony N.
  • American Mineralogist, Vol. 80, Issue 1-2
  • DOI: 10.2138/am-1995-1-203

Crystal chemistry of the monazite structure
journal, June 2011


Raman study of tetragonal TbPO 4 and observation of a first-order phase transition at high pressure
journal, September 2008


Theoretical and experimental study of the structural stability of TbPO4 at high pressures
journal, April 2010

  • López-Solano, J.; Rodríguez-Hernández, P.; Muñoz, A.
  • Physical Review B, Vol. 81, Issue 14, Article No.144126
  • DOI: 10.1103/PhysRevB.81.144126

High-pressure stability and compressibility ofAPO4 (A=La, Nd, Eu, Gd, Er, and Y) orthophosphates: An x-ray diffraction study using synchrotron radiation
journal, February 2010

  • Lacomba-Perales, R.; Errandonea, D.; Meng, Y.
  • Physical Review B, Vol. 81, Issue 6, Article No. 064113
  • DOI: 10.1103/PhysRevB.81.064113

Monazite-xenotime thermobarometry; experimental calibration of the miscibility gap in the binary system CePO 4 -YPO 4
journal, August 1997


Transformation plasticity in TbPO4 and (Gd,Dy)PO4 orthophosphates during indentation of polycrystalline specimens
journal, March 2014


Phase transformations in xenotime rare-earth orthophosphates
journal, October 2013


EPR investigations of Gd 3+ in single crystals and powders of the zircon–structure orthophosphates YPO 4 , ScPO 4 , and LuPO 4
journal, August 1980

  • Rappaz, M.; Boatner, L. A.; Abraham, M. M.
  • The Journal of Chemical Physics, Vol. 73, Issue 3
  • DOI: 10.1063/1.440259

Equations of state of six metals above 94 GPa
journal, September 2004


High pressure single-crystal micro X-ray diffraction analysis with GSE_ADA/RSV software
journal, August 2013


A short history of SHELX
journal, December 2007

  • Sheldrick, George M.
  • Acta Crystallographica Section A Foundations of Crystallography, Vol. 64, Issue 1, p. 112-122
  • DOI: 10.1107/S0108767307043930

Pressure effects on the structural and electronic properties of ABX4 scintillating crystals
journal, May 2008


Combined method for ab initio structure solution from powder diffraction data
journal, October 1999


Physics of solids under strong compression
journal, January 1996


Bonding Characteristics, Thermal Expansibility, and Compressibility of RXO 4 (R = Rare Earths, X = P, As) within Monazite and Zircon Structures
journal, May 2009

  • Li, Huaiyong; Zhang, Siyuan; Zhou, Shihong
  • Inorganic Chemistry, Vol. 48, Issue 10
  • DOI: 10.1021/ic900337j

AMPLIMODES : symmetry-mode analysis on the Bilbao Crystallographic Server
journal, September 2009

  • Orobengoa, Danel; Capillas, Cesar; Aroyo, Mois I.
  • Journal of Applied Crystallography, Vol. 42, Issue 5
  • DOI: 10.1107/S0021889809028064

Mode crystallography of distorted structures
journal, July 2010

  • Perez-Mato, J. M.; Orobengoa, D.; Aroyo, M. I.
  • Acta Crystallographica Section A Foundations of Crystallography, Vol. 66, Issue 5
  • DOI: 10.1107/S0108767310016247

Generalized phase diagram for the rare-earth elements: Calculations and correlations of bulk properties
journal, April 1975


    Works referencing / citing this record:

    A Spectroscopic Investigation of Eu3+ Incorporation in LnPO4 (Ln = Tb, Gd1-xLux, X = 0.3, 0.5, 0.7, 1) Ceramics
    journal, February 2019


    A Spectroscopic Investigation of Eu3+ Incorporation in LnPO4 (Ln = Tb, Gd1-xLux, X = 0.3, 0.5, 0.7, 1) Ceramics
    text, January 2019