Optimizing experimental design, overcoming challenges, and gaining valuable information from the Sb K-edge XANES region
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Skya E. Fawcett
,
Robert A. Gordon
Abstract
There are many challenges associated with collecting, processing, and interpreting high-energy XAS data. The most significant of these are broad spectra, minimal separation of edge positions, and high background owing to the Compton tail. Studies of the Sb system are a particular challenge owing to its complex bonding character and formation of mixed oxidation-state minerals. Furthermore, in environmental samples such as stream sediment containing mine waste, different Sb phases may coexist. Ways to overcome these challenges and achieve accurate and useful information are presented. Our investigations used Sb K-edge X-ray absorption near-edge spectroscopy (XANES) to elucidate Sb geochemical behavior. Several Sb mineral spectra are presented, including Sb sulfosalts, and contrasted based on the different hosting and coordination environments around the Sb atom in the crystal structure. These comparisons lead to the recognition of how the different hosting and coordination environments are manifested in the shape of the Sb mineral spectra. In fact from the shape of the spectra, the occupation of the Sb atom in a single or in multiple crystallographic sites, regardless of whether multiple phases are present in the sample, is discernible. Furthermore, we demonstrate that quantitative information can be derived from the XANES region using linear combination fitting of the derivative spectra, rather than the energy spectra. Particularly useful to the advancement of Sb research is the demonstration that a significant amount of information can be gained from the Sb K-edge XANES region.
© 2015 by Walter de Gruyter Berlin/Boston
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Artikel in diesem Heft
- Evolution of uranium and thorium minerals
- Tazieffite, Pb20Cd2(As,Bi)22S50Cl10, a new chloro-sulfosalt from Mutnovsky volcano, Kamchatka Peninsula, Russian Federation
- The crystal structure, origin, and formation of idrialite (C22H14): Inferences from the microbeam and bulk analyses
- Structural and spectroscopic characterization of a suite of fibrous amphiboles with high environmental and health relevance from Biancavilla (Sicily, Italy)
- Bulk and key surface structures of hematite, magnetite, and goethite: A density functional theory study
- A crystal-chemical investigation of clinozoisite synthesized along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH)
- Kumtyubeite Ca5(SiO4)2F2—A new calcium mineral of the humite group from Northern Caucasus, Kabardino-Balkaria, Russia
- Liquidus temperatures of the Skaergaard magma
- Optimizing experimental design, overcoming challenges, and gaining valuable information from the Sb K-edge XANES region
- Equation of state of γ-tricalcium phosphate, γ-Ca3(PO4)2, to lower mantle pressures
- Effect of lattice topology on the adsorption of benzyl alcohol on kaolinite surfaces: Quantum chemical calculations of geometry optimization, binding energy, and NMR chemical shielding
- The crystal structure of a naturally occurring 5C pyrrhotite from Sudbury, its chemistry, and vacancy distribution
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- General model for the aqueous precipitation of rough-surface nanocrystals and application to ferrihydrite genesis
- Sursassite: Hydrogen bonding, cation order, and pumpellyite intergrowth
- Ivanyukite-Na-T, ivanyukite-Na-C, ivanyukite-K, and ivanyukite-Cu: New microporous titanosilicates from the Khibiny massif (Kola Peninsula, Russia) and crystal structure of ivanyukite-Na-T
- Ferritchromite and chromian-chlorite formation in mélange-hosted Kalkan chromitite (Southern Urals, Russia)
- Multistage boron metasomatism in the Alamo Complex (Central Iberian Zone, Spain): Evidence from field relations, petrography, and 40Ar/39Ar tourmaline dating
- Kushiroite, CaAlAlSiO6: A new mineral of the pyroxene group from the ALH 85085 CH chondrite, and its genetic significance in refractory inclusions
- Calcium Tschermak’s pyroxene, CaAlAlSiO6, from the Allende and Murray meteorites: EBSD and micro-Raman characterizations
- Steric hindrance and the enhanced stability of light rare-earth elements in hydrothermal fluids
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