Reanalysis of the Schwertmannite structure and the incorporationof SO42- groups: An IR, XAS, WAXS and simulation study

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Schwertmannite is a poorly crystallized iron oxyhydroxidewith essential structural sulfate that can be a major component in acidmine drainage environments. Original characterization work concluded thatthe sulfate was largely contained within tunnels of an orderedakaganeite-like structure based on powder XRD, analysis of IR spectra,and sulfate extraction procedures [1]. Since the original description,problems have emerged with the nature of the tunnel sulfate, and with theinterpretation of the IR spectra. Other related work has shown that it isnow possible to determine sulfate-iron oxide inner sphere bindingunambiguously from the S K-edge XANES spectrum. Hence a reassessment ofthe evidence for the original schwertmannite structure was ... continued below

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Waychunas, G.A.; Myneni, S.C.B.; Traina, S.J.; Bigham, J.M.; Fuller, C.C. & Davis, J.A. May 5, 2001.

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Schwertmannite is a poorly crystallized iron oxyhydroxidewith essential structural sulfate that can be a major component in acidmine drainage environments. Original characterization work concluded thatthe sulfate was largely contained within tunnels of an orderedakaganeite-like structure based on powder XRD, analysis of IR spectra,and sulfate extraction procedures [1]. Since the original description,problems have emerged with the nature of the tunnel sulfate, and with theinterpretation of the IR spectra. Other related work has shown that it isnow possible to determine sulfate-iron oxide inner sphere bindingunambiguously from the S K-edge XANES spectrum. Hence a reassessment ofthe evidence for the original schwertmannite structure was deemednecessary and timely.

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  • Eleventh Annual V. M. Goldschmidt Conference, HotSprings, Virginia, 20-24 May 2001

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  • Report No.: LBNL--50276
  • Grant Number: DE-AC02-05CH11231
  • Office of Scientific & Technical Information Report Number: 917394
  • Archival Resource Key: ark:/67531/metadc887408

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  • May 5, 2001

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  • Sept. 22, 2016, 2:13 a.m.

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  • Oct. 31, 2016, 3:55 p.m.

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Waychunas, G.A.; Myneni, S.C.B.; Traina, S.J.; Bigham, J.M.; Fuller, C.C. & Davis, J.A. Reanalysis of the Schwertmannite structure and the incorporationof SO42- groups: An IR, XAS, WAXS and simulation study, article, May 5, 2001; Berkeley, California. (digital.library.unt.edu/ark:/67531/metadc887408/: accessed January 22, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.