X-ray spectroscopic study of the electronic structure of monazite- and xenotime-type rare-earth phosphates

Journal of Physical Chemistry C

Volumn 118, Issue 31, 2014, Pages 18000-18009

  Rafiuddin, Mohamed Ruwaid ^a   Mueller, Eric ^a   Grosvenor, Andrew P ^a  

^a UNIVERSITY OF SASKATCHEWAN   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; ELECTRONIC STRUCTURE; MONAZITE; SOLID SOLUTIONS; SPECTROSCOPIC ANALYSIS; X RAY DIFFRACTION; X RAY PHOTOELECTRON SPECTROSCOPY; X RAY SPECTROSCOPY;

ABSORPTION ENERGIES; CHARGE-TRANSFER MECHANISM; POWDER X RAY DIFFRACTION; RARE-EARTH PHOSPHATES; SPECTRAL INTENSITY; SPECTROSCOPIC STUDIES; STRUCTURAL DAMAGES; X-RAY ABSORPTION NEAR EDGE SPECTROSCOPY;

PHOSPHATE MINERALS;

EID: 84905829173     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp5051996     Document Type: Article

References (56)

1. Boatner, L. A. Synthesis, Structure, and Properties of Monazite, Pretulite, and Xenotime Rev. Mineral. Geochem. 2002, 48, 87-121
2. Ni, Y.; Hughes, J. M.; Mariano, A. N. Crystal Chemistry of the Monazite and Xenotime Structures Am. Mineral. 1995, 80, 21-26
3. Forster, H. J. The Chemical Composition of REE-Y-Th-U-rich Accessory Minerals in Peraluminous Granites of the Erzgebirge-Fichtelgebirge Region, Germany, Part I: The Monazite-(Ce)-Brabanitite Solid Solution Series Am. Mineral. 1998, 83, 259-272
4. Rapp, R. P.; Watson, E. B. Monazite Solubility and Dissolution Kinetics: Implications for the Thorium and Light Rare Earth Chemistry of Felsic Magmas Contrib. Mineral. Petrol. 1986, 94, 304-316
5. Dacheux, N.; Clavier, N.; Podor, R. Monazite as a Promising Long-Term Radioactive Waste Matrix: Benefits of High-Structural Flexibility and Chemical Durability Am. Mineral. 2013, 98, 833-847
6. 4 Am. Mineral. 1997, 82, 772-780
7. Heinrich, W.; Andrehs, G.; Franz, G. Monazite-Xenotime Miscibility Gap Thermometry. I. An Empirical Calibration J. Metamorph. Geol. 1997, 15, 3-16
8. Andrehs, G.; Heinrich, W. Experimental Determination of REE Distributions between Monazite and Xenotime: Potential for Temperature-Calibrated Geochronology Chem. Geol. 1998, 149, 83-96
9. Seydoux Guillaume, A. M.; Wirth, R.; Heinrich, W.; Montel, J. M. Experimental Determination of Thorium Partitioning Between Monazite and Xenotime using Analytical Electron Microscopy and X-ray Diffraction Rietveld Analysis Eur. J. Mineral. 2002, 14, 869-878
10. Cuney, M.; Matheiu, R. Extreme Light Rare Earth Mobilization by Diagenetic Fluids in the Geological Environment of the Oklo Natural Reactor Zones, Franceville Basin, Gabon Geology 2000, 28, 743-746
11. Forster, H. J. The Chemical Composition of REE-Y-Th-U-rich Accessory Minerals in Peraluminous Granites of the Erzgebirge-Fichtelgebirge, Germany. Part II: Xenotime Am. Mineral. 1998, 83, 1302-1315
12. Clavier, N.; Podor, R.; Dacheux, N. Crystal Chemistry of the Monazite Structure J. Eur. Ceram. Soc. 2011, 31, 941-976
13. Weber, W. J.; Ewing, R. C.; Catlow, C. R. A.; Diaz de la Rubia, T.; Hobbs, L. W.; Kinoshita, C.; Matzke, Hj.; Motta, A. T.; Nastasi, M.; Salje, E. K. H. Radiation Effects in Crystalline Ceramics for the Immobilization of High-Level Nuclear Waste and Plutonium J. Mater. Res. 1998, 13, 1434-1484
14. Ewing, R. C.; Wang, L. Phosphates as Nuclear Waste Forms Rev. Mineral. Geochem. 2002, 48, 673-699
15. Cherniak, D. J. Diffusion in Accessory Minerals: Zircon, Titanite, Apatite, Monazite and Xenotime Rev. Mineral. Geochem. 2010, 72, 827-869
16. Meldrum, A.; Boatner, L. A.; Weber, W. J.; Ewing, R. C. Radiation damage in Zircon and Monazite Geochim. Cosmochim. Acta 1998, 62, 2509-2520
17. Ewing, R. C. The Crystal Chemistry of Complex Niobium and Tantalum Oxides. IV. The Metamict State: Discussion Am. Mineral. 1975, 60, 728-733
18. Northrup, C. J. M., Jr. Scientific Basis for Nuclear Waste Management; Springer: US: Boston, 1980.
19. 4 from the Computer Simulation Data Glass Phys. Chem. 2012, 38, 55-62
20. Meldrum, A.; Boatner, L. A.; Ewing, R. C. Displacive Radiation Effects in the Monazite- and Zircon-Structure Orthophosphates Phys. Rev. B: Condens. Matter 1997, 56, 13805-13814
21. 4 Compounds and their Stability Fields Eur. J. Mineral. 2004, 16, 117-126
22. 4 Inorg. Chim. Acta 1982, 60, 39-43
23. Beall, G. W.; Boatner, L. A.; Mullica, D. F.; Milligan, W. O. The Structure of Cerium Orthophosphate, a Synthetic Analogue of Monazite J. Inorg. Nucl. Chem. 1981, 43, 101-105
24. 4: Pentagonal Interpenetrating Tetrahedral Polyhedron Inorg. Chim. Acta 1984, 95, 231-236
25. th Annual Conference on Applications of X-ray Analysis; International Centre for Diffraction Data: Denver, 1997.
26. de Groot, F. High-Resolution X-ray Emission and X-ray Absorption Spectroscopy Chem. Rev. 2001, 101, 1779-1808
27. Momma, K.; Izumi, F. VESTA 3 for Three-Dimensional Visualization of Crystal, Volumetric and Morphology Data J. Appl. Crystallogr. 2011, 44, 1272-1276
28. X'pert HighScore Plus, Version 3.0; PANalytical B. V.: Almelo, The Netherlands, 2011.
29. Hu, Y. F.; Coulthard, I.; Chevrier, D.; Wright, G.; Igarashi, R.; Stinikov, A.; Yates, B. W.; Hallin, E. L.; Sham, T. K.; Reininger, R. Preliminary Commissioning and Performance of the Soft X-ray Micro- characterization Beamline at the Canadian Light Source AIP Conf. Proc. 2010, 1234, 343
30. Thompson, A.; Attwood, D.; Gullikson, E.; Howells, M.; Kim, K. J.; Kirz, J.; Kortright, J.; Lindau, I.; Pianetta, P.; Robinson, A.; X-ray data booklet; Lawrence Berkeley National Laboratory: Berkeley, CA, 2009.
31. Ravel, B.; Newville, M. Athena, Artemis, Hephaestus: Data Analysis for X-ray Absorption Spectroscopy using IFEFFIT J. Synchrotron Radiat. 2005, 12, 537-541
32. Hu, Y. F.; Zuin, L.; Reininger, R.; Sham, T. K. VLS-PGM Beamline at the Canadian Light Source AIP Conf. Proc. 2007, 879, 535
33. Regier, T.; Krochak, J.; Sham, T. K.; Hu, Y. F.; Thompson, J.; Blyth, R. I. R. Performance and Capabilities of the Canadian Dragon: The SGM Beamline at the Canadian Light Source Nucl. Instrum. Methods Phys. Res. Sect. A 2007, 582, 93-95
34. Grosvenor, A. P.; Wik, S. D.; Cavell, R. G.; Mar, A. Examination of the Bonding in Binary Transition-Metal Monophosphides MP (M = Cr, Mn, Fe, Co) by X-ray Photoelectron Spectroscopy Inorg. Chem. 2005, 44, 8988-8998
35. Martin, R. L.; Shirley, D. A. Theory of Core-Level Photoemission Correlation State Spectra J. Chem. Phys. 1976, 64, 3685
36. Fairley, N. CasaXPS, version 2.2.19; Casa Software Ltd.: Teighnmouth, Devon, UK, 2003, (www.casaxps.com).
37. Anderson, O. K.; Jepsen, O. Explicit, First-Principles Tight-Binding Theory Phys. Rev. Lett. 1984, 53, 2571-2574
38. Jepsen, O.; Anderson, O. K. Calculated Electronic Structure of the Sandwich d1 metals LaI2 and CeI2: Application of new LMTO techniques Z. Phys. B 1995, 97, 35
39. Blöchl, P. E.; Jepsen, O.; Andersen, O. K. Improved Tetrahedron Method for Brillouin-zone Integrations Phys. Rev. B 1994, 49, 16223
40. 7 Phys. Chem. Chem. Phys. 2013, 15, 10477
41. Hayes, J. R.; Grosvenor, A. P. An X-ray Absorption Spectroscopic Study of the Electronic Structure and Bonding of Rare-earth Orthoferrites J. Phys.: Condens. Matter 2011, 23, 465502
42. Tromp, M.; Moulin, J.; Reid, G.; Evans, J. Cr K-edge XANES Spectroscopy: Ligand and Oxidation State Dependence-What is Oxidation State? AIP Conf. Proc. 2007, 882, 699
43. Wolska, A.; Bacewicz, R.; Filipowicz, J.; Attenkofer, K. X-ray Absorption Near-edge Structure of Selenium in the Cu-In-Se System J. Phys.: Condens. Matter 2001, 13, 4457
44. 2 Crystals J. Phys.: Condens. Matter 2000, 12, 7371
45. Ingall, E. D.; Brandes, J. A.; Diaz, J. M.; de Jonge, M. D.; Paterson, D.; McNulty, I.; Elliott, W. C.; Northrup, P. Phosphorus K-edge XANES Spectroscopy of Mineral Standards J. Synchrotron Radiat. 2011, 18, 189-197
46. Covex, C. G.; Poulenard, J.; Chalmin, E.; Arnaud, F.; Rivard, C.; Jenny, J. P.; Dorioz, J. M. XANES Spectroscopy as a Tool to Trace Phosphorus Transformation during Soil Genesis and Mountain Ecosystem Development from Lake Sediments Geochim. Cosmochim. Acta 2013, 118, 129-147
47. Brandes, J. A.; Ingall, E.; Paterson, D. Characterization of Minerals and Organic Phosphorus Species in Marine Sediments using Soft X-ray Fluorescence Spectromicroscopy Mar. Chem. 2007, 103, 250-265
48. 3-δ System J. Phys. Chem. C 2010, 114, 19822-19829
49. 7 Pyrochlore-Type Oxides by Glancing Angle X-ray Absorption Spectroscopy J. Phys. Chem. C 2014, 118, 7910-7922
50. 2,3-Edge XANES: Overview of Reference Compounds J. Synchrotron Radiat. 2009, 16, 247-259
51. de Groot, F. Multiplet Effects in X-ray Spectroscopy Coord. Chem. Rev. 2005, 249, 31-63
52. 5 Am. Mineral. 1994, 79, 785-788
53. Fuller, M. L. S.; Kasrai, M.; Bancroft, G. M. Chemical applications of Synchrotron Radiation Part II: X-ray applications; World Scientific Publishing: Singapore, 2002.
54. n+1 Multiplets of the Lanthanides Phys. Rev. B: Condens. Matter 1985, 32, 5107-5119
55. Kaindl, G.; Kalkowski, G.; Brewer, W. D.; Perscheid, B.; Holtzberg, F. M-edge X-ray Absorption Spectroscopy of 4f Instabilities in Rare-Earth Systems J. Appl. Phys. 1984, 55, 1910-1916
56. Allred, A. L. Electronegativity values from Thermochemical Data J. Inorg. Nucl. Chem. 1961, 17, 215-221