Critical evaluation of the revised akdalaite model for ferrihydrite

American Mineralogist

Volumn 96, Issue 4, 2011, Pages 521-533

  Manceau, A ^a  

^a UNIVERSITÉ GRENOBLE ALPES   (France)

Author keywords

Diffraction; EXAFS; Ferrihydrite; HEXS; Nanoparticle; Oxyhydroxide; PDF; Structure

Indexed keywords

BINARY ALLOYS; DIFFRACTION; DISTRIBUTION FUNCTIONS; HEMATITE; IRON METALLOGRAPHY; LIQUEFIED GASES; MIXTURES; MOLYBDENUM METALLOGRAPHY; NANOPARTICLES; STRUCTURE (COMPOSITION); SUPERFLUID HELIUM; X RAY SCATTERING;

CRITICAL EVALUATION; EXAFS; FERRIHYDRITES; HEXS; HIGH-ENERGY X-RAY SCATTERINGS; LIQUID HELIUM TEMPERATURE; OXYHYDROXIDES; PAIR DISTRIBUTION FUNCTION ANALYSIS;

IRON;

CRYSTAL CHEMISTRY; CRYSTAL STRUCTURE; FERRIHYDRITE; MAGHEMITE; MICROSTRUCTURE; NUMERICAL MODEL; PARTICLE SIZE; PROBABILITY DENSITY FUNCTION; X-RAY DIFFRACTION; X-RAY SPECTROSCOPY;

EID: 79955103328     PISSN: 0003004X     EISSN: 19453027     Source Type: Journal    
DOI: 10.2138/am.2011.3583     Document Type: Article

References (85)

1. Barron, V, Torrent, J., and De Grave, E. (2003) Hydromaghemite, an intermediate in the hydrothermal transformation of 2-line ferrihydrite into hematite. American Mineralogist, 88, 1679-1688. (Pubitemid 38098179)
2. 5-: The first open-shell Keggin ion. Journal of the American Chemical Society, 124, 4578-4579. (Pubitemid 34464993)
3. Blake, R.L., Hessevick, R.E., Zoltai, T., and Finger, L.W. (1966) Refinement of the hematite structure. American Mineralogist, 51, 123-129.
4. Brown, I.D., and Altermatt, D. (1985) Bond-valence parameters obtained from a systematic analysis of the Inorganic Crystal Structure Database. Acta Crystallographica, B, 41, 244-247.
5. Campbell, A.S., Schwertmann, U., and Campbel, P.A. (1997) Formation of cubic phases on heating ferrihydrite. Clay Minerals, 32, 615-622.
6. Carta, D., Casula, M.F., Comas, A., Falqui, A., Navarra, G., and Pinna, G. (2009) Structural and magnetic characterization of synthetic ferrihydrite nanoparticles. Materials Chemistry and Physics, 113, 349-355.
7. Combes, J.M., Manceau, A., Calas, G., and Bottero, J.Y. (1989) Formation of ferric oxides from aqueous solutions: a polyhedral approach by X-ray absorption spectroscopy. I. Hydrolysis and formation of ferric gels. Geochimica et Cosmochimica Acta, 53, 583-594.
8. Combes, J.M., Manceau, A., and Calas, G. (1990) Formation of ferric oxides from aqueous solutions: a polyhedral approach by X-ray absorption spectroscopy. II. Hematite formation from ferric gels. Geochimica et Cosmochimica Acta, 54, 1083-1091.
9. Cornell, R.M. and Schwertmann, U. (2003) The Iron Oxides: Structure, Properties, Reactions, Occurrence and Uses, VCH, New York.
10. 2 nanocomposites. Physical Chemistry Chemical Physics, 2, 1045-1050.
11. Cowley, J.M., Janney, D.E., Gerkin, R.C., and Buseck, P.R. (2000) The structure of ferritin cores determined by electron nanodiffraction. Journal of Structural Biology, 131, 210-216.
12. Crozier, E.D. (1997) A review of the current status of XAFS spectroscopy. Nuclear Instruments and Methods in Physics Research Section B Beam Interactions with Materials and Atoms, 133, 134-144. (Pubitemid 127379337)
13. de Boer, C.B. and Dekkers, M.J. (2001) Unusual thermomagnetic behaviour of haematites: neoformation of a highly magnetic spinel phase on heating in air. Geophysical Journal International, 144, 481-494. (Pubitemid 32258720)
14. De Grave, E., Vandenberghe, R.E., and Dauwe, C. (2005) ILEEMS: Methodology and applications to iron oxides. Hyperfine Interactions, 161, 147-160. (Pubitemid 43261091)
15. de Juan, A. and Tauler, R. (2003) Chemometrics applied to unravel multicomponent processes and mixtures. Revisiting latest trends in multivariate resolution. Analytica Chimica Acta, 500, 195-210. (Pubitemid 37487780)
16. Drits, V.A. and Tchoubar, C. (1990) X-ray Diffraction by Disordered Lamellar Structures: Theory and applications to microdivided silicates and carbons. Springer-Verlag, Berlin.
17. Drits, V.A., Sakharov, B.A., Salyn, A.L., and Manceau, A. (1993a) Structural model for ferrihydrite. Clay Minerals, 28, 185-208.
18. Drits, V.A., Sakharov, B.A., and Manceau, A. (1993b) Structure of feroxyhite as determined by simulation of X-ray diffraction curves. Clay Minerals, 28, 209-222. (Pubitemid 23393514)
19. Drits, V.A., Gorshkov, A.I., Sakharov, B.A., Salyn, A.L., and Manceau, A. (1995) Ferrihydrite and its phase transitions during heating in the oxidizing and reducing environments. Lithology and Mineral Resources, 1, 68-75
20. translated from Litologiya, 1, 76-84, 1995.
21. Eggleton, R.A. and Fitzpatrick, R.W. (1988) New data and a revised structural model for ferrihydrite. Clays and Clay Minerals, 36, 111-124.
22. Farrand, W.H., Glotch, T.D., Rice, J.W., Hurowitz, J.A., and Swayze, G.A. (2009) Discovery of jarosite within the Mawrth Vallis region of Mars: Implications for the geologic history of the region. ICARUS, 204, 478-488.
23. Farrow, C.L., Juhas, P., Liu, J.W., Bryndin, D., Bozin, E.S., Bloch, J., Proffen, T., and Billinge, S.J.L. (2007) PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals. Journal of Physics: Condensed Matter, 19, 335219.
24. Fernandez-Martinez, A., Timon, V., Roman-Ross, G., Cuello, G.J., Daniels, J.E., and Ayora, C. (2010) The structure of schwertmannite, a nanocrystalline iron oxyhydroxysulfate. American Mineralogist, 95, 1312-1322.
25. Flynn, C.M. (1984) Hydrolysis of inorganic iron (III) salts. Chemical Reviews, 84, 31-41.
26. Fortin, D. and Langley, S. (2005) Formation and occurrence of biogenic iron-rich minerals. Earth-Science Reviews, 72, 1-19. (Pubitemid 41179226)
27. 3. Journal of Solid State Chemistry, 49, 325-333. (Pubitemid 14471672)
28. Guyodo, Y., Banerjee, S.K., Penn, R.L., Burleson, D., Berauo, T.S., Seda, T., and Solheid, P. (2006) Magnetic properties of synthetic six-line ferrihydrite nanoparticles. Physics of the Earth and Planetary Interiors, 154, 222-233. (Pubitemid 43286332)
29. Hazemann, J.L., Berar, J.F., and Manceau, A. (1991) Rietveld studies of the aluminium-iron substitution in synthetic goethite. Materials Sciences Forum, 79-82, 821-826.
30. Hiemstra, T. and van Riemsdijk, W.H. (2009) A surface structural model for ferrihydrite I: Sites related to primary charge, molar mass, and mass density. Geochimica et Cosmochimica Acta, 73, 4423-4436.
31. Hwang, S.L., Shen, P.Y., Chu, H.T., and Yui, T.F. (2006) A new occurrence and new data on akdalaite, a retrograde mineral from UHP Whiteschist, Kokchetav Massif, Northern Kazakhstan. International Geology Review, 48, 754-764.
32. Jambor, J.L. and Dutrizac, J.E. (1998) Occurrence and constitution of natural and synthetic ferrihydrite, a widespread iron oxyhydroxide. Chemical Reviews, 98, 2549-2586.
33. Janney, D.E., Cowley, J.M., and Buseck, P.R. (2000) Structure of synthetic 2-line ferrihydrite by electron nanodiffraction. American Mineralogist, 85, 1180-1187.
34. - (2001) Structure of synthetic 6-line ferrihydrite by electron nanodiffraction. American Mineralogist, 86, 327-335. (Pubitemid 32296371)
35. Jansen, E., Kyek, A., Schafer, W., and Schwertmann, U. (2002) The structure of six-line ferrihydrite. Applied Physics A-Materials Science and Processing, 74, S1004-S1006.
36. Juhas, P., Cherba, D.M., Duxbury, P.M., Punch, W.F., Billinge, S.J.L. (2006) Ab initio determination of solid-state nanostructure. Nature, 440, 655-658.
37. Lanson, B., Drits, V.A., Gaillot, A.C., Silvester, E.J., Plançon, A., and Manceau, A. (2002) Structure of heavy metal sorbed birnessite. 1. Results from X-ray diffraction. American Mineralogist, 87, 1631-1645. (Pubitemid 36108726)
38. Liu, Q., Barron, V., Torrent, J., Eeckhout, S.G., Deng, C. (2008) Magnetism of intermediate hydromaghemite in the transformation of 2-line ferrihydrite into hematite and its paleoenvironmental implications. Journal of Geophysical Research, 113, 1-12.
39. MacKay, A.L. (1962) β-ferric oxyhydroxide-akaganéite. Mineralogical Magazine, 33, 270-280.
40. Majzlan, J., Lalinska, B., Chovan, M., Jurkovic, L., and Milovska, S. (2007) The formation, structure, and ageing of As-rich hydrous ferric oxide at the abandoned Sb deposit Pezinok (Slovakia). Geochimica et Cosmochimica Acta, 71, 4206-4220. (Pubitemid 47308502)
41. Malinowski, E.R. (1991) Factor Analysis in Chemistry. Wiley, New York.
42. Manceau, A. (2009) Evaluation of the structural model for ferrihydrite derived from real-space modeling of high-energy X-ray diffraction data. Clay Minerals, 44, 19-34.
43. - (2010) PDF analysis of ferrihydrite and the violation of Pauling's Principia. Clay Minerals, 45, 225-228.
44. Manceau, A. and Combes, J.M. (1988) Structure of Mn and Fe oxides and oxyhydroxides: a topological approach by EXAFS. Physics and Chemistry of Minerals, 15, 283-295.
45. Manceau, A. and Drits, V.A. (1993) Local structure of ferrihydrite and feroxyhite by EXAFS spectroscopy. Clay Minerals, 28, 165-184. (Pubitemid 23393512)
46. Manceau, A. and Gates, W. (1997) Surface structural model for ferrihydrite. Clays and Clay Minerals, 43, 448-460.
47. Manceau, A., Combes, J.M., Calas, G., Eggleton, R.A., and Fitzpatrick, R.W. (1990) New data and a revised structural model for ferrihydrite; discussion and reply. Clays and Clay Minerals, 38, 331-336.
48. Manceau, A., Gorshkov, A.I., and Drits, V.A. (1992) Structural Chemistry of Mn, Fe, Co, and Ni in Mn hydrous oxides. II. Information from EXAFS spectroscopy, electron and X-ray diffraction. American Mineralogist, 77, 1144-1157. (Pubitemid 23387977)
49. Manceau, A., Nagy, K.L., Spadini, L., and Ragnarsdottir, K.V. (2000) Influence of anionic layer structure of Fe-oxyhydroxides on the structure of Cd surface complexes. Journal of Colloid and Interface Science, 228, 306-316. (Pubitemid 30636973)
50. Manceau, A., Marcus, M.A., and Tamura, N. (2002) Quantitative speciation of heavy metals in soils and sediments by synchrotron X-ray techniques. In P. Fenter, M. Rivers, N.C. Sturchio, and S. Sutton Eds., Applications of Synchrotron Radiation in Low-Temperature Geochemistry and Environmental Science, 49, 341-428. Reviews in Mineralogy and Geochemistry, Mineralogical Society of America, Chantilly, Virginia.
51. Marchand, P. and Rancourt, D.G. (2009) General model for the aqueous precipitation of rough-surface nanocrystals and application to ferrihydrite genesis. American Mineralogist, 94, 1428-1439.
52. Marcus, M.A., Chen, H.S., and Espinosa, G.P. (1986) Distance distributions about Mn in icosahedral and crystalline AlMnSi. Solid State Communication, 58, 227-230. (Pubitemid 16549262)
53. Mazzetti, L. and Thistlethwaite, P.J. (2002) Raman spectra and thermal transformations of ferrihydrite and schwertmannite. Journal of Raman Spectroscopy, 33, 104-111.
54. Michel, F.M., Ehm, L., Antao, S.M., Lee, P.L., Chupas, P.J., Liu, G., Strongin, D.R., Schoonen, M.A.A., Phillips, B.L., and Parise, J.B. (2007) The structure of ferrihydrite, a nanocrystalline material. Science, 316, 1726-1729. (Pubitemid 46988543)
55. Michel, F.M., Barrónc, V., Torrent, J., Morales, M.P., Serna, C.J., Boily, J.F., Liu, Q., Ambrosini, A., Cismasu, A.C., and Brown, G.E. Jr. (2010) Ordered ferrimagnetic form of ferrihydrite reveals links among structure, composition, and magnetism. Proceedings of the National Academy of Science, 107, 2787-2792.
56. Mikutta, C., Mikutta, R., Bonneville, S., Wagner, F., Voegelin, A., Christl, I., and Kretzschmar, R. (2008) Synthetic coprecipitates of exopolysaccharides and ferrihydrite. Part I: Characterization. Geochimica et Cosmochimica Acta, 72, 1111-1127.
57. Mikutta, C., Frommer, J., Voegelin, A., Kaegi, R., and Kretzschmar, R. (2010) Effect of citrate on the local Fe coordination in ferrihydrite, arsenate binding, and ternary arsenate complex formation. Geochimica et Cosmochimica Acta, 74, 5574-5592.
58. O'Day, P.A., Rivera, N. Jr., Root, R., and Carroll, S.A. (2004) X-ray absorption spectroscopic study of Fe reference compounds for the analysis of natural sediments. American Mineralogist, 89, 572-585. (Pubitemid 38546321)
59. Ollivier, B., Retoux, R., Lacorre, P., Massiot, D., and Ferey, G. (1997) Crystal structure of kappa-alumina: An X-ray powder diffraction, TEM and NMR study. Journal of Materials Chemistry, 7, 1049-1056. (Pubitemid 127731254)
60. Pan, Y., Brown, A., Brydson, R., Warley, A., Li, A., and Powell, J. (2006) Electron beam damage studies of synthetic 6-line ferrihydrite and ferritin molecule cores within a human liver biopsy. Micron, 37, 403-411. (Pubitemid 43870147)
61. Pan, Y.H., Sader, K., Powell, J.J., Bleloch, A., Gass, M., Trinick, J., Warley, A., Li, A., Brydson, R., and Brown, A. (2009) 3D morphology of the human hepatic ferritin mineral core: New evidence for a subunit structure revealed by single particle analysis of HAADF-STEM images. Journal of Structural Biology, 166, 22-31.
62. 3+ in iron phosphate dihydrate, ferrihydrite, haemosiderin and ferritin as revealed by electron energy-loss spectroscopy. Ultramicroscopy, 110, 1020-1032.
63. Pankhurst, Q.A. and Pollard, R.U. (1992) Structural and magnetic-properties of ferrihydrite. Clays and Clay Minerals, 40, 268-272.
64. Parise, J.B., Harrington, R., Xu, W., Michel, F.M., Hausner, D.B., Debnath, S., Strongin, D.R. (2010) Understanding the composition and structure of ferrihydrite. Geochimica et Cosmochimica Acta, 74, A793.
65. Patrat, G., de Bergevin, F., Pernet, M., and Joubert, J.C. (1983) Structure locale de δ-FeOOH. Acta Crystallographica, B39, 165-170.
66. Pauling, L. (1929) The principles determining the structure of complex ionic crystals. Journal of the American Chemical Society, 51, 1010-1026.
67. Post, J.E., Heaney, P.J., von Dreele, R.B., Hanson, J.C. (2003) Neutron and temperature-resolved synchrotron X-ray powder diffraction study of akaganéite. American Mineralogist, 88, 782-788. (Pubitemid 36770565)
68. Rancourt, D.G. and Meunier, J.F. (2008) Constraints on structural models of ferrihydrite as a nanocrystalline material. American Mineralogist, 93, 1412-1417.
69. Rose, J., Manceau, A., Masion, A., and Bottero, J.Y. (1997) Structure and mechanisms of formation of FeOOH(NO3) oligomers in the early stages of hydrolysis. Langmuir, 13, 3240-3246. (Pubitemid 127655825)
70. Saleh, A.M. and Jones, A.A. (1984) The crystallinity and surface characteristics of synthetic ferrihydrite. Clay Minerals, 19, 745-755.
71. Schwertmann, U. and Cornell, R.M. (1991) Iron Oxides in the Laboratory. VCH, New York.
72. Shinoda, K., Matsubara, E., Muramatsu, A., and Waseda, Y. (1994) Local structure of ferric hydroxide Fe(OH)3 in aqueous solution by the anomalous X-ray scattering and EXAFS methods. Materials Transactions, The Japan Institute of Metals (JIM), 35, 394-398.
73. 3: synchrotron X-ray powder diffraction and high-resolution electron microscopy studies. Journal of Applied Crystallography, 28, 141-145.
74. Takagi, J., Ozaki, M., Shigemasa, K., and Mizoguchi, T. (2010) Chlorine occupancy dependence of crystal structure of pure β-phase of iron-oxyhydroxide. Materials Transactions, 51, 1330-1339.
75. Teo, B.K. (1986) EXAFS: basic principles and data analysis. Springer-Verlag, Berlin.
76. Toner, B.M., Santelli, C.M., Marcus, M.A., Wirth, R., Chan, C.S., McCollom, T. Bach, W., and Edwards, K.J. (2009) Biogenic iron oxyhydroxide formation at mid-ocean ridge hydrothermal vents: Juan de Fuca Ridge. Geochimica et Cosmochimica Acta, 73, 388-403.
77. Towe, K.M. and Bradley, W.F. (1967) Mineralogical constitution of colloidal "hydrous ferric oxides." Journal of Colloid and Interface Science, 24, 384-392.
78. Ulrich, K.U., Rossberg, A., Foerstendorf, H., Zänker, H., and Scheinost, A.C. (2006) Molecular characterization of uranium(VI) sorption complexes on iron(III)-rich acid mine water colloids. Geochimica et Cosmochimica Acta, 70, 5469-5487. (Pubitemid 44752643)
79. Voegelin, A., Kaegi, R., Frommer, J., Vantelon, D., and Hug, S.J. (2010) Effect of phosphate, silicate, and Ca on Fe(III)-precipitates formed in aerated Fe(II)-and As(III)-containing water studied by X-ray absorption spectroscopy. Geochimica et Cosmochimica Acta, 74, 164-186.
80. Waychunas, G.A., Rea, B.A., Fuller, C.C., and Davis, J.A. (1993) Surface chemistry of ferrihydrite: Part 1. EXAFS studies of the geometry of coprecipitated and adsorbed arsenate. Geochimica et Cosmochimica Acta, 57, 2251-2269. (Pubitemid 23392681)
81. Waychunas, G.A., Fuller, C.C., Rea, B.A., and Davis, J.A. (1996) Wide-angle X-ray scattering (WAXS) study of "two-line" ferrihydrite structure: Effect of arsenate sorption and counterion variation and comparison with EXAFS results. Geochimica et Cosmochimica Acta, 60, 1765-1781.
82. Xu, W., Hausner, D.B., Harrington, R., Lee, P.L., Strongin, D.R., and Parise, J.B. (2011) Structural water in ferrihydrite and constraints this provides on possible structure models. American Mineralogist, 96, 513-520.
83. 2O. Bulletin of the Chemical Society of Japan, 42, 2247-2249.
84. Yamaguchi, G., Okumiya, M., and Ono, S. (1964) The crystal structure of tohdite. Bulletin of the Chemical Society of Japan, 37, 1555-1557.
85. Zhukhlistov, A.P. (2001) Crystal structure of lepidocrocite FeO(OH) from the electron-diffractometry data. Crystallography Reports, 46, 730-733.