Startseite Spectroscopic study on the local structure of sulfate ( S O 4 2 − ) incorporated in scorodite (FeAsO4·2H2O) lattice: Implications for understanding the Fe(III)-As(V)- S O 4 2 − -bearing minerals formation
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Spectroscopic study on the local structure of sulfate ( S O 4 2 − ) incorporated in scorodite (FeAsO4·2H2O) lattice: Implications for understanding the Fe(III)-As(V)- S O 4 2 − -bearing minerals formation

  • Xu Ma ORCID logo , Fengdai Qi , Mario Alberto Gomez , Rui Su , Zelong Yan , Shuhua Yao , Shaofeng Wang und Yongfeng Jia
Veröffentlicht/Copyright: 29. September 2022
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American Mineralogist
Aus der Zeitschrift American Mineralogist Band 107 Heft 10

Abstract

The incorporation of sulfate ( S O 4 2 − ) into the scorodite (FeAsO4·2H2O) lattice is an important mechanism during arsenic (As) fixation in natural and engineered settings. However, spectroscopic evidence of S O 4 2 − speciation and local structure in scorodite lattice is still lacking. In this study, X‑ray difraction (XRD), Fourier transform infrared spectroscopy (FTIR), sulfur K-edge X‑ray absorption near edge structure (XANES), and extended X‑ray absorption fine structure (EXAFS) spectroscopic analyses in combination with density functional theory (DFT) calculations were used to determine the local coordination environment of S O 4 2 − in the naturally and hydrothermally synthesized scorodite. The S O 4 2 − retention in natural scorodite and the effect of pH value and initial Na+ concentration on the incorporation of S O 4 2 − in synthetic scorodite were investigated. The results showed that trace amounts of S O 4 2 − were incorporated in natural scorodite samples. Scanning electron microscopy (SEM) results revealed that S O 4 2 − was homogeneously distributed inside the natural and synthetic scorodite particles, and its content in the synthetic scorodite increased slightly with the initial Na+ concentration at pH of 1.2 and 1.8. The FTIR features and XANES results indicated that the coordination number (CN) of FeO6 octahedra around S O 4 2 − in scorodite lattice is four. The DFT calculation optimized interatomic distances of S-O were 1.45, 1.46, 1.48, and 1.48 Å with an average of ~1.47 Å, and the interatomic distances of S-Fe were 3.29, 3.29, 3.33, and 3.41 Å with an average of ~3.33 Å. EXAFS analysis gave an average S-O bond length of 1.47(1) and S-Fe bond length of 3.33(1) Å with a CNS-Fe = 4 for S O 4 2 − in the scorodite structure, in good agreement with the DFT optimized structure. The results conclusively showed that S O 4 2 − in the scorodite lattice may be in the form of a Fe2(SO4)3-like local structure. The present study is significant for understanding the formation mechanism of scorodite in natural environments and hydrometallurgical unit operations for waste sulfuric acid treatment.

Keywords: Arsenic; scorodite; sulfate; incorporation; local environment

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Received: 2021-06-17
Accepted: 2021-09-22
Published Online: 2022-09-29
Published in Print: 2022-10-26

© 2022 Mineralogical Society of America

Artikel in diesem Heft

  1. Experimentally derived F, Cl, and Br fluid/melt partitioning of intermediate to silicic melts in shallow magmatic systems
  2. Spectroscopic study on the local structure of sulfate ( S O 4 2 − ) incorporated in scorodite (FeAsO4·2H2O) lattice: Implications for understanding the Fe(III)-As(V)- S O 4 2 − -bearing minerals formation
  3. Oxidation of arcs and mantle wedges by reduction of manganese in pelagic sediments during seafloor subduction
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  5. Jadeite and related species in shocked meteorites: Limitations on inference of shock conditions
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  7. Estimating ferric iron content in clinopyroxene using machine learning models
  8. Pyradoketosite, a new, unexpected, polymorph of Ag3SbS3 from the Monte Arsiccio mine (Apuan Alps, Tuscany, Italy)
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  10. Synthesis of ferrian and ferro-saponites: Implications for the structure of (Fe,Mg)-smectites formed under reduced conditions
  11. Natural cubic perovskite, Ca(Ti,Si,Cr)O3–δ, a versatile potential host for rock-forming and less-common elements up to Earth’s mantle pressure
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  13. Zinconigerite-2N1S ZnSn2Al12O22(OH)2 and zinconigerite-6N6S Zn3Sn2Al16O30(OH)2, two new minerals of the nolanite-spinel polysomatic series from the Xianghualing skarn, Hunan Province, China
  14. Tracing structural relicts of the ikaite-to-calcite transformation in cryogenic cave glendonite
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https://doi.org/10.2138/am-2022-8184
Schlagwörter für diesen Artikel
Arsenic; scorodite; sulfate; incorporation; local environment

Artikel in diesem Heft

  1. Experimentally derived F, Cl, and Br fluid/melt partitioning of intermediate to silicic melts in shallow magmatic systems
  2. Spectroscopic study on the local structure of sulfate ( S O 4 2 − ) incorporated in scorodite (FeAsO4·2H2O) lattice: Implications for understanding the Fe(III)-As(V)- S O 4 2 − -bearing minerals formation
  3. Oxidation of arcs and mantle wedges by reduction of manganese in pelagic sediments during seafloor subduction
  4. Raman scattering and Cr3+ luminescence study on the structural behavior of δ-AlOOH at high pressures
  5. Jadeite and related species in shocked meteorites: Limitations on inference of shock conditions
  6. Pressure-induced C23–C37 transition and compression behavior of orthorhombic Fe2S to Earth’s core pressures and high temperatures
  7. Estimating ferric iron content in clinopyroxene using machine learning models
  8. Pyradoketosite, a new, unexpected, polymorph of Ag3SbS3 from the Monte Arsiccio mine (Apuan Alps, Tuscany, Italy)
  9. Pyrite geochemistry and its implications on Au-Cu skarn metallogeny: An example from the Jiguanzui deposit, Eastern China
  10. Synthesis of ferrian and ferro-saponites: Implications for the structure of (Fe,Mg)-smectites formed under reduced conditions
  11. Natural cubic perovskite, Ca(Ti,Si,Cr)O3–δ, a versatile potential host for rock-forming and less-common elements up to Earth’s mantle pressure
  12. Nazarovite, Ni12P5, a new terrestrial and meteoritic mineral structurally related to nickelphosphide, Ni3P
  13. Zinconigerite-2N1S ZnSn2Al12O22(OH)2 and zinconigerite-6N6S Zn3Sn2Al16O30(OH)2, two new minerals of the nolanite-spinel polysomatic series from the Xianghualing skarn, Hunan Province, China
  14. Tracing structural relicts of the ikaite-to-calcite transformation in cryogenic cave glendonite
  15. Oxygen-fugacity evolution of magmatic Ni-Cu sulfide deposits in East Kunlun: Insights from Cr-spinel composition
  16. New Mineral Names
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