Iron speciation in minerals and glasses probed by \(\hbox{M}_{2/3}\) -edge X-r

详细信息    查看全文

• 作者：A. Nyrow (1)
  C. Sternemann (1)
  M. Wilke (2)
  R. A. Gordon (3)
  K. Mende (1)
  H. Yava艧 (4)
  L. Simonelli (5) (6)
  N. Hiraoka (7)
  Ch. J. Sahle (8)
  S. Huotari (8)
  G. B. Andreozzi (9)
  A. B. Woodland (10)
  M. Tolan (1)
  J. S. Tse (11)
  
  1. Fakult盲t Physik/DELTA ; Technische Universit盲t Dortmund ; 44221 ; Dortmund ; Germany
  2. Section 3.3 ; Deutsches GeoForschungsZentrum ; 14473 ; Potsdam ; Germany
  3. PNCSRF ; APS Sector 20 ; Argonne ; IL ; 60439 ; USA
  4. Photon Science ; DESY ; 22607 ; Hamburg ; Germany
  5. European Synchrotron Radiation Facility ; 38043 ; Grenoble Cedex ; France
  6. ALBA Synchrotron Light Facility ; CELLS ; Barcelona ; Spain
  7. National Synchrotron Radiation Research Center ; Hsinchu ; 30076 ; Taiwan
  8. Department of Physics ; University of Helsinki ; P.O. Box 64 ; 00014 ; Helsinki ; Finland
  9. Dipartimento di Scienze della Terra ; Sapienza Universit脿 di Roma ; 00185 ; Rome ; Italy
  10. Institut f眉r Geowissenschaften ; Universit盲t Frankfurt ; Altenh枚ferallee 1 ; 60438 ; Frankfurt ; Germany
  11. Department of Physics and Engineering Physics ; University of Saskatchewan ; Saskatoon ; S7N 5E2 ; Canada
  
• 关键词：Iron speciation ; Minerals ; X ; Ray scattering ; X ; Ray absorption spectroscopy
• 刊名：Contributions to Mineralogy and Petrology
• 出版年：2014
• 出版时间：May 2014
• 年：2014
• 卷：167
• 期：5
• 全文大小：783 KB
• 参考文献：1. Andreozzi, GB, Lucchesi, S (2002) Intersite distribution of $${{{\rm Fe}}}^{2+}$$ Fe 2 + and Mg in the spinel (sensu stricto)-hercynite series by single-crystal X-ray diffraction. Am Min 87: pp. 1113-1120
  2. Antonangeli, D, Siebert, J, Badro, J, Farber, DL, Fiquet, G, Morard, G, Ryerson, FJ (2010) Composition of the Earth鈥檚 inner core from high-pressure sound velocity measurements in Fe鈥揘i鈥揝i alloys. Earth Planet Sci Lett 295: pp. 292-296 6/j.epsl.2010.04.018" target="_blank" title="It opens in new window">CrossRef
  3. Badro, J, Fiquet, G, Guyot, F, Rueff, JP, Struzhkin, VV, Vanko, G, Monaco, G (2003) Iron partitioning in Earth鈥檚 mantle: toward a deep lower mantle discontinuity. Science 300: pp. 789-791 6/science.1081311" target="_blank" title="It opens in new window">CrossRef
  4. Bergmann, U, Groenzin, H, Mullins, OC, Glatzel, P, Getzer, J, Cramer, SP (2004) X-Ray Raman spectroscopy: a new tool to study local structure of aromatic hydrocarbons and asphaltenes. Pet Sci Technol 22: pp. 863-875 CrossRef
  5. Berry, AJ, Yaxley, GM, Woodland, AB, Foran, GJ (2010) A XANES calibration for determining the oxidation state of iron in mantle garnet. Chem Geol 278: pp. 31-37 6/j.chemgeo.2010.08.019" target="_blank" title="It opens in new window">CrossRef
  6. Boulard, E, Menguy, N, Auzende, AL, Benzerara, K, Bureau, H, Antonangeli, D, Corgne, A, Morard, G, Siebert, J, Perrillat, JP, Guyot, F, Fiquet, G (2012) Experimental investigation of the stability of Fe-rich carbonates in the lower mantle. J Geophys Res 117: pp. B02208
  7. Bourdelle, F, Benzerara, K, Beyssac, O, Cosmidis, J, Neuville, DR, Brown, GE, Paineau, E (2013) Quantification of the ferric/ferrous iron ratio in silicates by scanning transmission X-ray microscopy at the Fe $${\text{L}}_{2,3}$$ L 2 , 3 edges. Contrib Miner Pet 166: pp. 423-434 CrossRef
  8. Bradley, JA, Moore, KT, Laan, G, Bradley, JP, Gordon, RA (2011) Core and shallow-core d- to f-shell excitations in rare-earth metals. Phys Rev B 84: pp. 205105 CrossRef
  9. Cai, YQ, Chow, P, Chen, CC, Ishii, H, Tsang, L, Kao, CC, Liang, KS, Chen, CT (2004) Optical design and performance of the Taiwan inelastic X-ray scattering beamline (BL12XU) at SPring-8. AIP Conf Proc 705: pp. 340-343 63/1.1757803" target="_blank" title="It opens in new window">CrossRef
  10. Calvert, CC, Brown, A, Brydson, R (2005) Determination of the local chemistry of iron in inorganic and organic materials. J Electron Spectrosc Relat Phenom 143: pp. 173-187 6/j.elspec.2004.03.012" target="_blank" title="It opens in new window">CrossRef
  11. Cav茅, L, Al, T, Loomer, D, Cogswell, S, Weaver, L (2006) A STEM/EELS method for mapping iron valence ratios in oxide minerals. Micron 37: pp. 301-309 6/j.micron.2005.10.006" target="_blank" title="It opens in new window">CrossRef
  12. Crocombette, JP, Pollak, M, Jollet, F, Thromat, N, Gautier-Soyer, M (2006) X-Ray near-edge absorption study of temperature-induced low-spin-to-high-spin change in metallo-supramolecular assemblies. Phys Rev B 52: pp. 3143-3150 CrossRef
  13. Groot, FMF (2005) Multiplet effects in X-ray spectroscopy. Coord Chem Rev 249: pp. 31-63 6/j.ccr.2004.03.018" target="_blank" title="It opens in new window">CrossRef
  14. Groot, FMF, Glatzel, P, Bergmann, U, Aken, PA, Barrea, RA, Klemme, S, H盲vecker, M, Knop-Gericke, A, Heijboer, WM, Weckhuysen, BM (2005) 1s2p resonant inelastic X-ray scattering of iron oxides. J Phys Chem B 109: pp. 20751-20762 6s" target="_blank" title="It opens in new window">CrossRef
  15. Groot, FMF (2008) Ligand and metal X-ray absorption in transition metal complexes. Inorg Chem Acta 361: pp. 850-856 6/j.ica.2007.07.024" target="_blank" title="It opens in new window">CrossRef
  16. Groot, FMF, Smit, E, Schooneveld, MM, Aramburo, LR, Weckhuysen, BMX (2008) In-situ scanning transmission X-ray microscopy of catalytic solids and related nanomaterials. Chem Phys Chem 11: pp. 951-962 CrossRef
  17. Ding, Y, Chen, CC, Zeng, Q, Kim, HS, Han, MJ, Balasubramanian, M, Gordon, R, Li, F, Bai, L, Popov, D, Heald, SM, Gog, T, Mao, H, Veenendaal, M (2014) Novel high-pressure monoclinic metallic phase of V2O3. Phys Rev Lett 112: pp. 056401 6401" target="_blank" title="It opens in new window">CrossRef
  18. Drewitt, JE, Sanloup, C, Bytchkov, A, Brassamin, S, Hennet, L (2013) Structure of $$({\text{Fe}}_x{\text{Ca}}_{1-x}{\text{O}})_y({\text{SiO}}_2)_{1-y}$$ ( Fe x Ca 1 - x O ) y ( SiO 2 ) 1 - y liquids and glasses from high-energy X-ray diffraction: implications for the structure of natural basaltic magmas. Phys Rev B 87: pp. 224201 CrossRef
  19. Duffy, TS (2013) Mineralogy at the extremes. Nature 451: pp. 269-270 6584" target="_blank" title="It opens in new window">CrossRef
  20. Dunlap, RA, Edelman, DA, Mackay, GR (1998) A M枚ssbauer effect investigation of correlated hyperfine parameters in natural glasses (tektites). J Non-Cryst Solids 223: pp. 141-146 6/S0022-3093(97)00364-5" target="_blank" title="It opens in new window">CrossRef
  21. Edwards, C, Bond, PL, Druschel, GK, McGuire, MM, Hamers, RJ, Banfield, JFX (1998) Geochemical and biological aspects of sulphide mineral dissolution: lessons from Iron Mountain, California. Chem Geol 169: pp. 383-397 6/S0009-2541(00)00216-3" target="_blank" title="It opens in new window">CrossRef
  22. Fang, C, Ahuja, R (2008) Local structure and electronic spin transition of Fe-bearing $${\text{MgSiO}}_3$$ MgSiO 3 perovskite under conditions of the Earth鈥檚 lower mantle. Phys Earth Planet Inter 166: pp. 77-82 6/j.pepi.2007.11.004" target="_blank" title="It opens in new window">CrossRef
  23. Farges, F, Lefrere, Y, Rossano, S, Berthereau, A, Calas, G, Brown, GE (2004) The effect of redox state on the local structural environment of iron in silicate glasses: a combined XAFS spectroscopy, molecular dynamics, and bond valence study. J Non-Cryst Solids 344: pp. 176-188 6/j.jnoncrysol.2004.07.050" target="_blank" title="It opens in new window">CrossRef
  24. Fierro, G, Moretti, G, Ferraris, G, Andreozzi, GB (2011) A M枚ssbauer and structural investigation of Fe鈥揨SM-5 catalysts: influence of Fe oxide nanoparticles size on the catalytic behaviour for the NO-SCR by $${\text{C}}_3{\text{H}}_8$$ C 3 H 8. Appl Catal B Environ 102: pp. 215-223 6/j.apcatb.2010.12.001" target="_blank" title="It opens in new window">CrossRef
  25. Fister, TT, Seidler, GT, Wharton, L, Battle, AR, Ellis, TB, Cross, JO, Macrander, AT, Elam, WT, Tyson, TA, Qian, Q (2006) Multielement spectrometer for efficient measurement of the momentum transfer dependence of inelastic X-ray scattering. Rev Sci Instrum 77: pp. 063901 63/1.2204581" target="_blank" title="It opens in new window">CrossRef
  26. Fister, TT, Magle, KP, Vila, FD, Seidler, GT, Hamner, C, Cross, JO, Rehr, JJ (2009) Intermediate-range order in water ices: nonresonant inelastic X-ray scattering measurements and real-space full multiple scattering calculations. Phys Rev B 79: pp. 174117 CrossRef
  27. Fuggle, JC, Alvarado, SF (2006) Core-level lifetimes as determined by X-ray photoelectron spectroscopy measurements. Phys Rev A 22: pp. 1615-1624 615" target="_blank" title="It opens in new window">CrossRef
  28. Galoisy, L, Callas, G, Arrio, MA (2001) High-resolution XANES spectra of iron in minerals and glasses: structural information from the pre-edge region. Chem Geol 174: pp. 307-319 6/S0009-2541(00)00322-3" target="_blank" title="It opens in new window">CrossRef
  29. Gauthier, C, Sole, VA, Signorato, R, Goulon, J, Moguiline, E (1999) The ESRF beamline ID26: X-ray absorption on ultra dilute sample. J Synchrotron Radiat 6: pp. 164-166 6835" target="_blank" title="It opens in new window">CrossRef
  30. Gordon, RA, Seidler, GT, Fister, TT, Haverkort, MW, Sawatzky, GA, Tanaka, A, Sham, TK (2008) High multipole transitions in NIXS: valence and hybridization in 4f systems. EPL 81: pp. 26004 6004" target="_blank" title="It opens in new window">CrossRef
  31. Gordon, RA, Haverkort, MW, Sen Gupta, S, Sawatzky, GA (2009) Orientation-dependent X-ray Raman scattering from cubic crystals: natural linear dichroism in MnO and $${\text{CeO}}_2$$ CeO 2. J Phys Conf Ser 190: pp. 012047 6596/190/1/012047" target="_blank" title="It opens in new window">CrossRef
  32. H盲m盲l盲inen, K, Manninen, S (2001) Resonant and non-resonant inelastic X-ray scattering. J Phys Condens Matter 13: pp. 7539-7555 6" target="_blank" title="It opens in new window">CrossRef
  33. Haverkort, MW, Tanaka, A, Tjeng, LH, Sawatzky, GA (2007) Nonresonant Inelastic X-ray scattering involving excitonic excitations: the examples of NiO and CoO. Phys Rev Lett 99: pp. 257401 CrossRef
  34. Heijboer, WM, Koningsberger, DC, Weckhuysen, BM, Groot, FMF (2005) New frontiers in X-ray spectroscopy in heterogeneous catalysis: using Fe/ZSM-5 as test-system. Catal Today 110: pp. 228-238 6/j.cattod.2005.09.038" target="_blank" title="It opens in new window">CrossRef
  35. Hofmeister, AM (2006) Is low-spin $${\text{Fe}}^{2+}$$ Fe 2 + present in Earth鈥檚 mantle?. Earth Planet Sci Lett 243: pp. 44-52 6/j.epsl.2005.12.013" target="_blank" title="It opens in new window">CrossRef
  36. Honkanen, AP, Verbeni, R, Simonelli, L, Moretti Sala, M, Monaco, G, Huotari, S (2013) Study on the reflectivity properties of spherically bent analyser crystals. J Synchrotron Radiat 21: pp. 104-110 60057751302242X" target="_blank" title="It opens in new window">CrossRef
  37. Inkinen, J, Sakko, A, Ruotsalainen, KO, Pylkk盲nen, T, Niskanen, J, Galambosi, S, Hakala, M, Monaco, G, Huotari, S, H盲m盲l盲inen, K (2013) Temperature dependence of CO2 and N2 core-electron excitation spectra at high pressure. Phys Chem Chem Phys 15: pp. 9231-9238 CrossRef
  38. Irifune, T, Isshiki, M (1998) Iron partitioning in a pyrolite mantle and the nature of the 410-km seismic discontinuity. Nature 392: pp. 702-705 663" target="_blank" title="It opens in new window">CrossRef
  39. Jackson, WE, Farges, F, Yeager, M, Mabrouk, PA, Rossano, S, Waychunas, GA, Solomon, EA, Brown, GE (2005) Multi-spectroscopic study of Fe(II) in silicate glasses: implications for the coordination environment of Fe(II) in silicate melts. Geochim Cosmochim Acta 69: pp. 4315-4332 6/j.gca.2005.01.008" target="_blank" title="It opens in new window">CrossRef
  40. Krisch, M, Sette, F (2002) X-ray Raman scattering from low-Z materials. Surf Rev Lett 9: pp. 969-976 625X02001689" target="_blank" title="It opens in new window">CrossRef
  41. Krywka, C, Paulus, M, Sternemann, C, Volmer, M, Remhof, A, Nowak, G, Nefedov, A, Poter, B, Spiegel, M, Tolan, M (2007) The small-angle and wide-angle X-ray scattering set-up at beamline BL9 of DELTA. J Synchrotron Radiat 14: pp. 244-251 CrossRef
  42. Lee, SK, Eng, PJ, Mao, H-K, Meng, Y, Newville, M, Hu, MY, Shu, J (2005) Probing of bonding changes in $${\text{B}}_2{\text{O}}_3$$ B 2 O 3 glasses at high pressure with inelastic X-ray scattering. Nat Mater 4: pp. 851-854 CrossRef
  43. Lee, SK, Lin, J-F, Cai, YQ, Hiraoka, N, Eng, PJ, Okuchi, T, Mao, H-K, Meng, Y, Hu, MY, Chow, P, Shu, J, Li, B, Fukui, H, Lee, BH, Kim, HN, Yoo, C-S (2008) X-ray Raman scattering study of $${\text{MgSiO}}_3$$ MgSiO 3 glass at high pressure: implication for triclustered $${\text{MgSiO}}_3$$ MgSiO 3 melt in Earth鈥檚 mantle. PNAS 105: pp. 7925-7929 667105" target="_blank" title="It opens in new window">CrossRef
  44. Lin, J-F, Mao, Z, Yava艧, H, Zhao, J, Dubrovinsky, L (2010) Shear wave anisotropy of textured hcp-Fe in the Earth鈥檚 inner core. Earth Planet Sci Lett 298: pp. 361-366 6/j.epsl.2010.08.006" target="_blank" title="It opens in new window">CrossRef
  45. Mao, WL, Mao, H-k, Eng, PJ, Trainor, TP, Newville, M, Kao, C-c, Heinz, DL, Shu, J, Meng, Y, Hemley, RJ (2003) Bonding changes in compressed superhard graphite. Science 302: pp. 425-427 6/science.1089713" target="_blank" title="It opens in new window">CrossRef
  46. Mattila, A, Soininen, JA, Galambosi, S, Huotari, S, Vanko, G, Zhigadlo, ND, Karpinski, J, H盲m盲l盲inen, K (2005) Local electronic structure of MgB2 by X-ray Raman scattering at the boron K edge. Phys Rev Lett 94: pp. 247003 CrossRef
  47. McCammon, CA (1997) Perovskite as a possible sink for ferric iron in the lower mantle. Nature 387: pp. 694-696 685" target="_blank" title="It opens in new window">CrossRef
  48. McCammon, CA, Frost, DJ, Smyth, JR, Laustsen, HMS, Kawamoto, T, Ross, NL, Aken, PA (2004) Oxidation state of iron in hydrous mantle phases: implications for subduction and mantle oxygen fugacity. Phys Earth Planet Inter 143鈥?44: pp. 157-169 6/j.pepi.2003.08.009" target="_blank" title="It opens in new window">CrossRef
  49. Miot, J, Benzerara, K, Obst, M, Kappler, A, Hegler, F, Sch盲dler, S, Bouchez, C, Guyot, F, Morin, G (2009) Extracellular iron biomineralization by photoautotrophic iron-oxidizing bacteria. Appl Environ Microbiol 75: pp. 5586-5591 CrossRef
  50. Moreau, P, Boucher, F (2012) Revisiting lithium K and iron $${\text{M}}_{2,3}$$ M 2 , 3 edge superimposition: the case of lithium battery material $${\text{LiFePO}}_4$$ LiFePO 4. Micron 43: pp. 16-21 6/j.micron.2011.05.008" target="_blank" title="It opens in new window">CrossRef
  51. Munoz, M, Andrade, V, Vidal, O, Lewin, E, Pascarelli, S, Susini, J (2006) Redox and speciation micromapping using dispersive X-ray absorption spectroscopy: application to iron chlorite mineral of a metamorphic rock thin section. Geochem Geophys Geosyst 7: pp. Q11020 6GC001381" target="_blank" title="It opens in new window">CrossRef
  52. Mysen BO (1991) Relations between structure, redox equilibria of iron, and properties of magmatic liquids. In: Perchuk LL, Kushiro I (eds) Advances in physical chemistry, vol 9. Springer, New York, pp 41鈥?8
  53. Narygina, O, Mattesini, M, Kantor, I, Pascarelli, S, Wu, X, Aquilanti, G, McCammon, CA, Dubrovinsky, L (2009) High-pressure experimental and computational XANES studies of (Mg, Fe)(Si, Al) $${\text{O}}_3$$ O 3 perovskite and (Mg, Fe)O ferropericlase as in the Earths lower mantle. Phys Rev B 79: pp. 174115 CrossRef
  54. Newville, M, Sutton, S, Rivers, M, Eng, P (1999) Micro-beam X-ray absorption and fluorescence spectroscopies at GSECARS: APS beamline 13ID. J Synchrotron Radiat 6: pp. 353-355 6185" target="_blank" title="It opens in new window">CrossRef
  55. Nyrow A, Tse JS, Hiraoka N, Desgreniers S, B眉ning T, Mende K, Tolan M, Wilke M, Sternemann C (2014, in preparation)
  56. Okuchi, T (1997) Hydrogen partitioning into molten iron at high pressure: implications for Earths core. Science 278: pp. 1781-1784 6/science.278.5344.1781" target="_blank" title="It opens in new window">CrossRef
  57. Ono, S, Ohishi, Y, Kikegawa, T (2007) High-pressure study of rhombohedral iron oxide, FeO, at pressures between 41 and 142 GPa. J Phys Condens Matter 19: pp. 036205 6205" target="_blank" title="It opens in new window">CrossRef
  58. Otsuka, K, McCammon, CA, Karato, S-I (2010) Tetrahedral occupancy of ferric iron in (Mg, Fe)O: implications for point defects in the Earth鈥檚 lower mantle. Phys Earth Planet. Inter 180: pp. 179-188 6/j.pepi.2009.10.005" target="_blank" title="It opens in new window">CrossRef
  59. Pacella, A, Andreozzi, GB, Fournier, J, Stievano, L, Giantomassi, F, Lucarini, G, Rippo, MR, Pugnaloni, A (2012) Iron topochemistry and surface reactivity of amphibole asbestos: relations with in vitro toxicity. Anal Bioanal Chem 402: pp. 871-881 6-011-5525-y" target="_blank" title="It opens in new window">CrossRef
  60. Parkinson, IJ, Arculus, RJ (1997) The redox state of subduction zones: insights from arc-peridotites. Chem Geol 160: pp. 409-423 6/S0009-2541(99)00110-2" target="_blank" title="It opens in new window">CrossRef
  61. Rossano, S, Balan, E, Morin, G, Bauer, JP, Calas, G, Brouder, C (1999) $$^{57}{\text{Fe}}$$ 57 Fe M枚ssbauer spectroscopy of tektites. Phys Chem Miner 26: pp. 530-538 690050216" target="_blank" title="It opens in new window">CrossRef
  62. Sahle, ChJ, Sternemann, C, Schmidt, C, Lehtola, S, Jahn, S, Simonelli, L, Huotari, S, Hakala, M, Pylkkanen, T, Nyrow, A, Mende, K, Tolan, M, H盲m盲l盲inen, K, Wilke, M (2013) Microscopic structure of water at elevated pressures and temperatures. PNAS 110: pp. 6301-6306 CrossRef
  63. Sahle, ChJ, Sternemann, C, Sternemann, H, Tse, JS, Gordon, RA, Desgreniers, S, Maekawa, S, Yamanaka, S, Lehmk眉hler, F, Wieland, DCF, Mende, K, Huotari, S, Tolan, M (2014) The Ba 4d4f giant dipole resonance in complex Ba/Si compounds. J Phys B At Mol Opt Phys 47: pp. 045102 CrossRef
  64. Schmid, R, Wilke, M, Oberh盲nsli, R, Janssens, K, Falkenberg, G, Franz, L, Gaab, A (2003) Micro-XANES determination of ferric iron and its application in thermobarometry. Lithos 70: pp. 381-392 6/S0024-4937(03)00107-5" target="_blank" title="It opens in new window">CrossRef
  65. Sch眉lke, W (2007) Electron dynamics by inelastic X-ray scattering. OUP Oxford Press, Oxford
  66. Sen Gupta, S, Bradley, JA, Haverkort, MW, Seidler, GT, Tanaka, A, Sawatzky, GA (2011) Coexistence of bound and virtual-bound states in shallow-core to valence X-ray spectroscopies. Phys Rev B 84: pp. 075134 CrossRef
  67. Smyth, JR, Holl, CM, Langenhorst, F, Laustsen, HMS, Rossmann, GR, Kleppe, A, McCammon, CA, Kawamoto, T, Aken, PA (2005) Crystal chemistry of wadsleyite II and water in the Earth鈥檚 interior. Phys Chem Miner 31: pp. 691-705 69-004-0431-x" target="_blank" title="It opens in new window">CrossRef
  68. Sobolev, VN, McCammon, CA, Taylor, LA, Snyder, CA, Sobolev, NV (1999) Precise Moessbauer milliprobe determination of ferric iron in rock-forming minerals and limitations of electron microprobe analysis. Am Mineral 84: pp. 78-85
  69. Soininen, JA, Ankudinov, AL, Rehr, JJ (2005) Inelastic scattering from core electrons: a multiple scattering approach. Phys Rev B 72: pp. 045136 6" target="_blank" title="It opens in new window">CrossRef
  70. Soininen, JA, Mattila, A, Rehr, JJ, Galambosi, S, H盲m盲l盲inen, K (2006) Experimental determination of the core-excited electron density of states. J Phys Condens Matter 18: pp. 7327-7336 CrossRef
  71. Stavitski, E, Groot, FMF (2010) The CTM4XAS program for EELS and XAS spectral shape analysis of transition metal L edges. Micron 41: pp. 687-694 6/j.micron.2010.06.005" target="_blank" title="It opens in new window">CrossRef
  72. Sternemann, C, Soininen, JA, Huotari, S, Vanko, G, Volmer, M, Secco, RA, Tse, JS, Tolan, M (2005) X-Ray Raman scattering at the L edges of elemental Na, Si, and the N edge of Ba in Ba8Si46. Phys Rev B 72: pp. 035104 CrossRef
  73. Sternemann, H, Sternemann, C, Seidler, GT, Fister, TT, Sakko, A, Tolan, M (2008) An extraction algorithm for core-level excitations in non-resonant inelastic X-ray scattering spectra. J Synchrotron Radiat 15: pp. 162-169 696" target="_blank" title="It opens in new window">CrossRef
  74. Sternemann, C, Sahle, ChJ, Mende, K, Schmidt, C, Nyrow, A, Simonelli, L, Moretti Sala, M, Tolan, M, Wilke, M (2013) X-Ray Raman scattering: an exciting tool for the study of matter at conditions of the Earth鈥檚 interior. J Phys Conf Ser 425: pp. 202011 6596/425/20/202011" target="_blank" title="It opens in new window">CrossRef
  75. Tan, H, Verbeeck, J, Abakumov, A, Tendeloo, G (2012) Oxidation state and chemical shift investigation in transition metal oxides by EELS. Ultramicroscopy 116: pp. 24-33 6/j.ultramic.2012.03.002" target="_blank" title="It opens in new window">CrossRef
  76. Terasaki, H, Kamada, S, Sakai, T, Ohtani, E, Hirao, N, Ohishi, Y (2011) Liquidus and solidus temperatures of a Fe鈥揙鈥揝 alloy up to the pressures of the outer core: implication for the thermal structure of the Earth鈥檚 core. Earth Planet Sci Lett 304: pp. 559-564 6/j.epsl.2011.02.041" target="_blank" title="It opens in new window">CrossRef
  77. Thy, P, Lofgren, GE (1994) Experimental constraints on the low-pressure evolution of transitional and mildly alkalic basalts: the effect of Fe-Ti oxide minerals and the origin of basaltic andesites. Contrib Mineral Pet 116: pp. 340-351 6502" target="_blank" title="It opens in new window">CrossRef
  78. Tse, JS, Yang, L, Zhang, SJ, Jin, CQ, Sahle, ChJ, Sternemann, C, Nyrow, A, Giordano, V, Jiang, JZ, Yamanaka, S, Desgreniers, S, Tulk, CA (2011) Pressure-induced electron topological transitions in Ba-doped Si clathrate. Phys Rev B 84: pp. 184105 CrossRef
  79. Tse, JS, Hanfland, M, Flacau, R, Desgreniers, S, Li, Z, Mende, K, Gilmore, K, Nyrow, A, Moretti Sala, M, Sternemann, C (2013) Electronic structure and electron topology in the direct fcc $$\rightarrow $$ 鈫sh transformation of silicon. J Phys Chem C 118: pp. 1161-1166 666q" target="_blank" title="It opens in new window">CrossRef
  80. Aken, PA, Styrsa, VJ, Liebscher, B, Woodland, AB, Redhammer, GJ (1999) Microanalysis of $$\text{Fe}^{3+}/\sum \text{Fe}$$ Fe 3 + / 鈭Fe in oxide and silicate minerals by investigation of electron energy-loss near-edge structures (ELNES) at the Fe $$\text{M}_{2,3}$$ M 2 , 3 edge. Phys Chem Miner 26: pp. 584-590 690050222" target="_blank" title="It opens in new window">CrossRef
  81. Laan, G (1991) $$\text{M}_{2,3}$$ M 2 , 3 absorption spectroscopy of 3d transition-metal compounds. J Phys Condens Matter 3: pp. 7443 6" target="_blank" title="It opens in new window">CrossRef
  82. Verbeni, R, Pylkk盲nen, T, Huotari, S, Simonelli, L, Vanko, G, Martel, K, Henriquet, C, Monaco, G (2009) Multiple-element spectrometer for non-resonant inelastic X-ray spectroscopy of electronic excitations. J Synchrotron Radiat 16: pp. 469-476 6X" target="_blank" title="It opens in new window">CrossRef
  83. Virgo, D, Mysen, BO (1985) The structural state of iron in oxidized vs. reduced glasses at 1 atm: a $$^{57}\text{Fe}$$ 57 Fe M枚ssbauer study. Phys Chem Miner 12: pp. 65-76 6829" target="_blank" title="It opens in new window">CrossRef
  84. Westre, TE, Kennepohl, P, DeWitt, JG, Hedman, B, Hodgson, KO, Solomon, EI (1997) A multiplet analysis of Fe K-Edge 1s $$\rightarrow $$ 鈫3d pre-edge features of iron complexes. J Am Chem Soc 119: pp. 6297-6314 64352a" target="_blank" title="It opens in new window">CrossRef
  85. Wilke, M, Behrens, H (1999) The dependence of the partitioning of iron and europium between plagioclase and hydrous tonalitic melt on oxygen fugacity. Contrib Mineral Pet 137: pp. 102-114 CrossRef
  86. Wilke, M, Farges, F, Petit, P-E, Brown, GE, Martin, F (2001) Oxidation state and coordination of Fe in minerals: an Fe K-XANES spectroscopic study. Am Mineral 86: pp. 714-730
  87. Wilke, M, Partzsch, GM, Bernhardt, R, Lattard, D (2005) Determination of the iron oxidation state in basaltic glasses using XANES at the K-edge. Chem Geol 220: pp. 143-161 6/j.chemgeo.2005.03.004" target="_blank" title="It opens in new window">CrossRef
  88. Wilke, M, Schmidt, C, Farges, F, Malavergne, V, Gautron, L, Simionovici, S, Hahn, M, Petit, PE (2006) Structural environment of iron in hydrous aluminosilicate glass and melt-evidence from X-ray absorption spectroscopy. Chem Geol 229: pp. 144-161 6/j.chemgeo.2006.01.017" target="_blank" title="It opens in new window">CrossRef
  89. Wilke, M, Farges, F, Partzsch, GM, Schmidt, C, Behrens, H (2007) Speciation of Fe in silicate glasses and melts by in-situ XANES spectroscopy. Am Min 92: pp. 44-56 6" target="_blank" title="It opens in new window">CrossRef
  90. Wood, BJ, Virgo, D (1989) Upper mantle oxidation state: ferric iron contents of Iherzolite spinels by $$^{57}\text{Fe}$$ 57 Fe Mossbauer spectroscopy and resultant oxygen fugacities. Geochim Cosmochim Acta 53: pp. 691-705
  91. Woodland, AB, Jugo, PJ (2012) A complex magmatic system beneath the Dev猫s volcanic field, Massif Central, France: evidence from clinopyroxene megacrysts. Contrib Miner Pet 153: pp. 719-731 6-0172-6" target="_blank" title="It opens in new window">CrossRef
  92. Xiong, W, Peng, J, Hu, Y (2012) Use of X-ray absorption near edge structure (XANES) to identify physisorption and chemisorption of phosphate onto ferrihydrite-modified diatomite. J Colloid Interface Sci 368: pp. 528-532 6/j.jcis.2011.11.041" target="_blank" title="It opens in new window">CrossRef
  93. Xu, G, Lin, X (2000) Geology and geochemistry of the Changlongshan skarn iron deposit, Anhui Province, China. Ore Geol Rev 16: pp. 91-106 6/S0169-1368(99)00025-6" target="_blank" title="It opens in new window">CrossRef
  94. Zerr, A, Boehler, R (1993) Melting of (Mg, Fe) $$\text{SiO}_3$$ SiO 3 -perovskite to 625 kilobars: indication of a high melting temperature in the lower mantle. Science 262: pp. 553-555 6/science.262.5133.553" target="_blank" title="It opens in new window">CrossRef
  95. Zerr, A, Boehler, R (1994) Constraints on the melting temperature of the lower mantle from high-pressure experiments from MgO and magnesiow眉stite. Nature 371: pp. 506-508 6a0" target="_blank" title="It opens in new window">CrossRef
  
• 刊物类别：Earth and Environmental Science
• 刊物主题：Earth sciences
  Geology
  Mineral Resources
  Mineralogy
  
• 出版者：Springer Berlin / Heidelberg
• ISSN：1432-0967

文摘

We present a spectroscopic study of the iron \(\hbox{M}_{2/3}\) -edge for several minerals and compounds to reveal information about the oxidation state and the local coordination of iron. We describe a novel approach to probe the iron \(\hbox{M}_{2/3}\) -edge bulk sensitively using X-ray Raman scattering. Significant changes in the onset and shape of the Fe \(\hbox{M}_{2/3}\) -edge were observed on ferrous and ferric model compounds with Fe in octahedral and tetrahedral coordination. Simulation of the spectra is possible using an atomic multiplet code, which potentially allows determination of, e.g., crystal-field parameters in a quantitative manner. A protocol is discussed for determination of the Fe oxidation state in compounds by linear combination of spectra of ferric and ferrous end members. The presented results demonstrate the capabilities of Fe \(\hbox{M}_{2/3}\) -edge spectroscopy by X-ray Raman scattering to extract information on the ratio of trivalent to total iron \(\hbox{Fe}^{3+}/\sum \hbox{Fe}\) and local coordination. As X-ray Raman scattering is performed with hard X-rays, this approach is suitable for in situ experiments at high pressure and temperature. It thus may provide indispensable information on oxidation state, electronic structure and local structure of materials that are important for physical and chemical processes of the deep Earth.