Advanced analyses of 57Fe Mössbauer data of alumino-silicate glasses
Source abstract
Abstract
57Fe Mossbauer spectra of iron bearing alumino-silicate glasses are analysed by two complementary methods (SID and x-VBF) especially adapted for the analysis of disordered systems by taking into account distributions of hyperfine Mossbauer parameters. Qualitative and quantitative information about the oxidation state of iron are obtained as well as information about the distribution of local environments of iron. The possibility to separate the signal of ferric iron from that of ferrous iron allows to derive precise redox ratio in favourable cases but also to analyse more sharply the different contributions to Mossbauer spectra. Using two different glass series (feldspar composition, haplo-tonalitic composition), the characteristics of the two methods are described and employed to study the effect of composition, water incorporation and oxidation state on the glass structure. Optical absorption spectroscopy is used to support the interpretation of the Mossbauer spectra in case of the feldspar glasses.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Geological and Geochemical Analysis · Glass properties and applications · Mineralogy and Gemology Studies
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (66)
Show source-provided references
1. Abu-Eid RM, Langer K, Seifert F (1978) Optical absorption and Mössbauer spectra of purple and green yoderite, a kyanite-related mineral. Phys Chem Minerals 3:271–28910.1007/BF00633576 ↗
2. Alberto HV, da Cunha JLP, Mysen BO, Gil JM, de Campos Ayres N (1996) Analysis of Mössbauer spectra of silicate glasses using a two dimensional Gaussian distribution of hyperfine parameters. J Non-Crystalline Solids 194:48–5710.1016/0022-3093(95)00463-7 ↗
3. Amthauer G, Grodzicki M, Lottermoser W, Redhammer G (2004) Mössbauer spectroscopy: basic principles. In: Beran A, Libowitzky E (eds) Spectroscopic methods in mineralogy, vol 6 of EMU notes in mineralogy, Chap 8. Eötvös University Press, Budapest, pp 345–36710.1180/EMU-notes.6.8 ↗
4. Antoni A, Montagne L, Daviero S, Palavit G, Bernard J-L, Wattiaux A, Vezin H (2004) Structural characterization of iron-alumino-silicate glasses. J Non-Crystalline Solids 345–346:66–6910.1016/j.jnoncrysol.2004.07.045 ↗
5. Balan E, Allard T, Boizot B, Morin G, Muller J-P (1999) Structural Fe3+ in natural kaolinites: new insights from electron paramagnetic resonance spectra fitting at X and Q-band frequencies. Clays Clay Minerals 47(5):605–61610.1346/CCMN.1999.0470507 ↗
6. Berndt J, Liebske C, Holtz F, Freise M, Nowak M, Ziegenbein D, Hurkuck W, Koepke J (2002) A combined rapid-quench and H2-membrane setup for internally heated pressure vessels: Description and application for water solubility in basaltic melts. Am Mineral 87:1717–172610.2138/am-2002-11-1222 ↗
7. Berry AJ, O’Neill HS, Jayasuriya KD, Campbell SJ, Foran GJ (2003) XANES calibrations for the oxidation state of iron in a silicate glass. Am Mineral 88(7):967–97710.2138/am-2003-0704 ↗
8. Bézos A, Humler E (2005) The Fe3+/∑ Fe ratios of MORB glasses and their implications for mantle melting. Geochim Cosmochim Acta 69(3):711–72510.1016/j.gca.2004.07.026 ↗
9. Boizot B, Ollier N, Olivier F, Petite G, Ghaleb D, Malchukova E (2005) Irradiation effects in simplified nuclear waste glasses. Nucl Instrum Methods Phys Res B 240:146–15110.1016/j.nimb.2005.06.105 ↗
10. Bonnin-Mosbah M, Simionovici AS, Metrich N, Duraud JP, Massare D, Dillmann P (2001) Iron oxidation states in silicate glass fragments and glass inclusions with a XANES micro-probe. J Non-Crystalline Solids 288:103–11310.1016/S0022-3093(01)00611-1 ↗
11. Bonnin-Mosbah M, Metrich N, Susini J, Salomé M, Massare D, Menez B (2002) Micro X-ray absorption near edge structure at the sulfur and iron K-edges in natural silicate glasses. Spectrochim Acta B 57:711–72510.1016/S0584-8547(01)00407-4 ↗
12. Botcharnikov RE, Koepke J, Holtz F, McCammon C, Wilke M (2005) The effect of water activity on the oxidation and structural state of Fe in a ferro-basaltic melt. Geochim Cosmochim Acta 69(21):5071–508510.1016/j.gca.2005.04.023 ↗
13. Burns RG (1994) Mineral Mössbauer spectroscopy:correlations between chemical shift and quadrupole splitting parameters. Hyperfine Interact 91:739–74510.1007/BF02064600 ↗
14. Calas G, Petiau J (1983) Coordination state of iron in oxide glasses through high resolution K-edge spectra: information from pre-edge. Solid state Commun 48:625–62910.1016/0038-1098(83)90530-6 ↗
15. Dickenson MP, Hess PC (1986) The structural role and homogeneous redox equilibria of iron in peraluminous, metaluminous and peralkaline silicate melts. Contrib Mineral Petrol 92:207–21710.1007/BF00375294 ↗
16. Dunlap RA (1997) An investigation of Fe oxidation states and site distributions in a tibetan tektite. Hyperfine Interact 110:217–22510.1023/A:1012691820021 ↗
17. Dyar MD, Perry CL, Rebbert CR, Dutrow BL, Holdaway MJ, Lang HM (1991) Mössbauer spectroscopy of synthetic and naturally occurring staurolite. Am Mineral 76(1–2):27–41
18. Ehrt D, Leister M, Matthai A (2001) Polyvalent elements iron, tin and titanium in silicate, phosphate and fluoride glasses and melts. Phys Chem Glasses 42(3):231–239
19. Evans RJ, Rancourt DG, Grodzicki M (2005) Hyperfine electric field gradients and local distortion environments of octahedrally coordinated Fe3+. Am Mineral 90:187–19810.2138/am.2005.1441 ↗
20. Farges F, Munoz M, Siewert R, Malavergne V, Brown GE, Behrens H, Nowak M, Petit P-E (2001) Transition elements in water-bearing silicate glasses/melts. Part II. Ni in water-bearing glasses. Geochim Cosmochim Acta 65(10):1679–169310.1016/S0016-7037(00)00624-4 ↗
21. Farges F, Lefrère 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 molecular dynamics, combined XAFS spectroscopy, bond valence study. J Non-Crystalline Solids 344(3):176–18810.1016/j.jnoncrysol.2004.07.050 ↗
22. Galoisy L, Calas G, Arrio M-A (2001) High-resolution XANES spectra of iron in minerals and glasses: structural information from the pre-edge region. Chem Geol 174(1–3):307–31910.1016/S0009-2541(00)00322-3 ↗
23. Giuli G, Paris E, Pratesi G, Koeberl C, Cipriani C (2003) Iron oxidation state in the Fe-rich layer and silica matrix of Libyan Desert Glass: a high-resolution XANES study. Meteorit Planet Sci 38(8):1181–118610.1111/j.1945-5100.2003.tb00306.x ↗
24. Giuli G, Eeckhout SG, Paris E, Koeberl C, Pratesi G (2005) Iron oxidation state in impact glass from the K/T boundary at Beloc, Haiti, by high-resolution XANES spectroscopy. Meteorit Planet Sci 40(11):1575–158010.1111/j.1945-5100.2005.tb00132.x ↗
25. Gunnlaugsson HP (2006) A simple model to extract hyperfine interaction distributions from Mössbauer spectra. Hyperfine Interact 167:851–85410.1007/s10751-006-9380-8 ↗
26. Hannoyer B, Lenglet M, Dürr J, Cortes R (1992) Spectroscopic evidence of octahedral iron (III) in soda-lime silicate glasses. J Non-Crystalline Solids 151:209–21610.1016/0022-3093(92)90031-E ↗
27. Hess PC (1995) Thermodynamic mixing properties and the structure of silicate melts. In: Stebbins JF, Millan PFM, Dingwell DB (eds) Structure, dynamics and properties of silicate melts, vol 32 of Reviews in Mineralogy. Mineralogical Society of America, pp 145–18910.1515/9781501509384-008 ↗
28. Hofmeister A, Rossman GR (1984) Determination of Fe3+ and Fe2+ concentrations in feldspar by optical absorption and EPR spectroscopy. Phys Chem Minerals 11:213–22410.1007/BF00308136 ↗
29. Jackson WE, Farges F, Yeager M, Mabrouk PA, Rossano S, Waychunas GA, Solomon EI, 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 69:4315–433210.1016/j.gca.2005.01.008 ↗
30. Jayasuriya KD, O’Neill HS, Berry AJ, Campbell AJ (2004) A Mössbauer study of the oxidation state of Fe in silicate melts. Am Mineral 89:1597–160910.2138/am-2004-11-1203 ↗
31. Karabulut M, Marasinghe GK, Ray CS, Ray DE, Waddill GD, Booth CH, Allen PG, Bucher JJ, Caulder DL, Shuh DK (2002) An investigation of the local iron environment in iron phosphate glasses having different Fe(II) concentrations. J Non-Crystalline Solids 306:182–19210.1016/S0022-3093(02)01053-0 ↗
32. Lagarec K, Rancourt DG (1997) Extended Voigt-based analytic lineshape method for determining N-dimensional correlated hyperfine parameter distributions in Mössbauer spectroscopy. Nucl Instrum Methods Phys Res B 129:266–28010.1016/S0168-583X(97)00284-X ↗
33. Lange RA, Carmichael ISE (1989) Ferric-ferrous equilibria in Na2O–FeO–Fe2O3–SiO2 melts: effects of analytical techniques on derived partial molar volumes. Geochim Cosmochim Acta 53:2195–220410.1016/0016-7037(89)90343-8 ↗
34. Lefrère Y (2002) Propriétés d’absorption optique du Fe2+ et du Fe3+ dans des verres d’intérêt industriel: mesure, modélisation et implications structurales. PhD Thesis, Université Denis Diderot
35. Leister M, Ehrt D (1999) Redox behavior of iron and vanadium ions in silicate melts at temperature up to 2000°c. Glass Sci Technol 72(5):153–160
36. Levitz P, Bonnin D, Calas G, Legrand A-P (1980) A two-parameter distribution analysis of Mössbauer spectra in non-crystalline solids using general inversion method. J Phys E Sci Instrum 13:427–43210.1088/0022-3735/13/4/015 ↗
37. Liebske C, Behrens H, Holtz F, Lange RA (2003) The influence of pressure and composition on the viscosity of andesitic melts. Geochim Cosmochim Acta 67:473–48510.1016/S0016-7037(02)01139-0 ↗
38. Magnien V, Neuville DR, Cormier L, Roux J, Hazemann JL, Pinet O, Richet P (2006) Kinetics of iron redox reactions in silicate liquids: a high-temperature x-ray absorption and Raman spectroscopy study. J Nucl Mater 352(1–3):190–19510.1016/j.jnucmat.2006.02.053 ↗
39. Mc Cammon CA (2004) Mössbauer spectroscopy: applications. In: Beran A, Libowitzky E (eds) Spectroscopic methods in mineralogy, Vol 6 of EMU notes in Mineralogy, Chap 9. Eötvös University Press, Budapest, pp 369–398
40. Metrich N, Susini J, Foy E, Farges F, Massare D, Sylla L, Lequien S, Bonnin-Mosbah M (2006) Redox state of iron in peralkaline rhyolitic glass/melt: X-ray absorption micro-spectroscopy experiments at high temperature. Chem Geol 231(4):350–36310.1016/j.chemgeo.2006.02.001 ↗
41. Mosbah M, Duraud JP, Metrich N, Wu Z, Delaney JS, San Miguel A (1999) Micro-XANES with synchrotron radiation: a complementary tool of micro-PIXE and micro-SXRF for the determination of oxidation state of elements. Application to geological materials. Nucl Instrum Methods Phys Res B 158(1–4):214–22010.1016/S0168-583X(99)00344-4 ↗
42. Mysen BO (2006) The structural behavior of ferric and ferrous iron in aluminosilicate glass near meta-aluminosilicate joins. Geochim Cosmochim Acta 70(9):2337–235310.1016/j.gca.2006.01.026 ↗
43. Mysen BO, Richet P (2005) Silicate glasses and melts, vol 10 of developments in geochemistry. Elsevier, Amsredam
44. Nemtsova OM (2006) The method of extraction of subspectra with appreciably different values of hyperfine interaction parameters from Mössbauer spectra. Nucl Instrum Methods Phys Res B 244:501–50710.1016/j.nimb.2005.10.018 ↗
45. Neuville DR, Cormier L, Massiot D (2006) Al coordination and speciation in calcium aluminosilicate glasses: effects of composition determined by Al-27 MQ-MAS NMR and Raman spectroscopy. Chem Geol 229(1–3):173–18510.1016/j.chemgeo.2006.01.019 ↗
46. Nishida T (1995) Mössbauer effect in inorganic glasses. Hyperfine Interact 95:23–3910.1007/BF02146303 ↗
47. Nowak M, keppler H (1998) The influence of water on the environment of transition metals in silicate glasses. Am Mineral 83(1–2):43–5010.2138/am-1998-1-204 ↗
48. Ottonello G (1997) Principles of geochemistry. Columbia university press, Columbia
49. Partzsch GM, Lattard D, McCammon C (2004) Mössbauer spectroscopic determination of Fe3+/Fe2+ in synthetic basaltic glass: a test of empirical $${\hbox{f}_{\hbox{O}_2}}$$ equations under superliquidus and subliquidus conditions. Contrib Mineral Petrol 147:565–58010.1007/s00410-004-0571-5 ↗
50. Quartieri S, Riccardi MP, Messiga B, Boscherini F (2005) The ancient glass production of the Medieval Val Gargassa glasshouse: Fe and Mn XANES study. J Non-Crystalline Solids 351(37–39):3013–302210.1016/j.jnoncrysol.2005.06.046 ↗
51. Rancourt DG, McDonald AM, Lalonde AE, Ping JY (1993) Mössbauer absorber thickness for accurate site populations in Fe-bearing minerals. Am Mineral 78:1–7
52. Rancourt DG, Christie IAD, Royer M, Kodama H, Robert J-L, Lalonde AE, Murad E (1994a) Determination of accurate [4]Fe3+, [6]Fe3+ and [6]Fe2+ site populations in synthetic annite by mössbauer spectroscopy. Am Mineral 79:51–62
53. Rancourt DG, Ping JY, Berman RG (1994b) Mössbauer spectroscopy of minerals. Phys Chem Minerals 21:258–26710.1007/BF00202140 ↗
54. Rancourt DG, Ping JY, Boukili B, Robert J-L (1996) Octahedral-site Fe2+ quadrupole splitting distributions from Mössbauer spectroscopy along the (OH, F)-annite join. Phys Chem Minerals 23:63–7110.1007/BF00202995 ↗
55. Rossano S, Balan E, Morin G, Bauer J-P, Calas G, Brouder C (1999) 57Fe Mössbauer spectroscopy of tektites. Phys Chem Minerals 26:530–53810.1007/s002690050216 ↗
56. Rossano S, Ramos A, Delaye J-M, Creux S, Filipponi A, Brouder C, Calas G (2000a) EXAFS and molecular dynamics combined study of CaO–FeO–2SiO2 glass. New insight into site significance in silicate glasses. Europhysics Letters 49(5):597–60210.1209/epl/i2000-00192-1 ↗
57. Rossano S, Ramos AY, Delaye J-M (2000b) Environment of ferrous iron in CaFeSi2O6 glass: contributions of EXAFS and molecular dynamics. J Non-Crystalline Solids 273(1–3):48–5210.1016/S0022-3093(00)00124-1 ↗
58. Stolper E (1982) Water in silicate glasses-an infrared spectroscopic study. Contrib Mineral Petrol 81(1):1–1710.1007/BF00371154 ↗
59. Uchino T, Nakaguchi K, Nagashima Y, Kondo T (2000) Prediction of optical properties of commercial soda-lime-silicate glasses containing iron. J Non-Crystalline Solids 261:7210.1016/S0022-3093(99)00617-1 ↗
60. Virgo D, Mysen B (1985) The structural state of iron in oxidized vs. reduced glasses at 1 atm: a 57Fe Mössbauer study. Phys Chem Minerals 12:65–7610.1007/BF01046829 ↗
61. 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(5–6):714–73010.2138/am-2001-5-612 ↗
62. Wilke M, Behrens H, Burkhard DJM, Rossano S (2002) The oxidation state of iron in silicic melt at 500 MPa water pressure. Chem Geol 189:55–6710.1016/S0009-2541(02)00042-6 ↗
63. Wilke M, Partzsch GM, Bernhardt R, Lattard D (2005) Determination of the iron oxidation state in basaltic glasses using XANES at the Fe K-edge. Chem Geol 220(1–2):14110.1016/j.chemgeo.2005.03.003 ↗
64. Wilke M, Schmidt C, Farges F, Malavergne V, Gautron L, Simionovici A, Hahn M, Petit P-E (2006) Structural environment of iron in hydrous aluminosilicate glass and melt-evidence from X-ray absorption spectroscopy. Chem Geol 229:144–16110.1016/j.chemgeo.2006.01.017 ↗
65. 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 Mineral 92:44–5610.2138/am.2007.1976 ↗
66. Xue X, Kanzaki M (2006) Depolymerization effect of water in aluminosilicate glasses: direct evidence from 1H–27Al heteronuclear correlation NMR. Am Mineral 91:1922–192610.2138/am.2006.2365 ↗