Empirical bonding relationships in metal-iron-sulfide compounds

Hoggins, J. T.; Steinfink, H.

doi:10.1021/ic50161a041

Cited by 71 publications

(48 citation statements)

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“…Greenwood and Whitfield [8] studying the controversial minerals (cubanite and chalcopyrite) through this technique found that the magnetic Figure 2 and Table 1 show the Mössbauer spectra and the analyzed parameters of the resistive as well as microwave heated samples. Isomer shifts (IS) 0.60 and 0.20 mm/s are typical values for high spin Fe 2+ and Fe 3+ respectively in metaliron sulfide compounds when iron is tetrahedrally coordinated by sulfur [9]. Using XRD analysis, sample 'a' could be resolved into two magnetic sextets with IS = 0.23 and 0.46 mm/s respectively and a nonmagnetic doublet with IS of 0.46 mm/s and QS of 0.61 mm/s assigned to chalcopyrite (Cu +1 Fe 3+ S 2 ), pyrrhotite(Fe 1−x S) and cubanite (CuFe 2 S 3 ) respectively.…”

Section: Resultsmentioning

confidence: 99%

Mössbauer study on microwave synthesized (Cu,Fe) sulfide composites and correlation with natural mineral—cubanite

et al. 2008

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In nature, the mineral 'Cubanite' with composition CuFe 2 S 3 occurs in orthorhombic structure in the matrix of chalcopyrite and pyrrhotite. Synthesis of this mineral in the laboratory conditions has not been reported yet. An attempt to synthesize the orthorhombic Cu-Fe-Sulfide (cubanite) by resistive as well as microwave heating technique is reported. MW-heated sample shows the presence of orthorhombic component along with isocubanite and pyrrhotite. The synthesized samples were studied in details through XRD and Mössbauer spectroscopy. The synthesis process, responsible for different proportions of the minerals, may indicate the conditions of their genesis in nature. Formation of isocubanite (cubic cubanite) seems unavoidable under the conditions of synthesis. The striking indistinguishable character of cubanite and chalcopyrite could be challenged through Mössbauer hyperfine parameter-the hyperfine field of chalcopyrite (∼37 T) being quite different from that of cubanite (∼33 T).

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Section: Resultsmentioning

confidence: 99%

Mössbauer study on microwave synthesized (Cu,Fe) sulfide composites and correlation with natural mineral—cubanite

et al. 2008

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“…Two distinct iron sites are found, but the isomer shifts and quadrupole splitting (δ = 0.47 mm/s, E Q = 1.41 mm/s, and δ = 0.69 mm/s, E Q = 2.90 mm/s) deviated from typical values known for ferric and ferrous ions (see also Table 1). Comparisons with suitable reference systems, as well as the empirical correlation [30] δ(x) = [1.43-0.40·x] mm/s, found for δ and the oxidation number (x) of FeS 4 units, revealed a mixing coefficient of 20% for the electronic configurations [Fe 2+ -Fe 3+ ] ("A") and [Fe 3+ -Fe 2+ ] ("B") (i.e. a 2 = 0.8, b 2 = 0.2 for ψ = a·ψ "A" + b·ψ "B" ).…”

Section: Exchange and Double-exchange In A Synthetic [2fe-2s] Compoundmentioning

confidence: 99%

Iron-sulfur clusters—new features in enzymes and synthetic models

Bill¹

2011

Hyperfine Interact

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Mössbauer spectroscopy is very important for the characterization of iron sulfur clusters in biological and synthetic molecules. The electric and magnetic hyperfine parameters obtained for 57 Fe provide valuable information about the electronic structure of the different iron sites occurring in Fe:S clusters. Although known since more than four decades, research in this field is very active, revealing unexpected functions, structures and redox states. In this overview, new aspects of double exchange and vibronic coupling in a structurally well-characterized two-iron model compound are discussed, the electronic structure of extremely reduced clusters with all iron in ferrous or even in iron(I) state is elucidated, and an exciting new type of cubane cluster occurring in oxygen-insensitive hydrogenases is presented. The latter cluster involves structural changes during function and it supports more than one redox transition, which may be essential for oxygen protection of the enzymes.

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“…Clark et al (1969) fitted curves to third-degree polynomials for silicates. Perloif (1970) applied a linear relationship to molybdates, while Donnay and Allmann (1970), Brown and Shannon (1973), and Hoggins and Steinfink (1976) balanced the valences by assuming an inverse nth-power relationship for a wide variety of struc tures. For a current list of parameters used in the valence balancing method, see Brown, Chap.…”

Section: Valence Balancingmentioning

confidence: 99%

Interatomic Distance Predictions for Computer Simulation of Crystal Structures

Baur¹

1981

Structure and Bonding in Crystals

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Empirical bonding relationships in metal-iron-sulfide compounds

Cited by 71 publications

References 1 publication

Mössbauer study on microwave synthesized (Cu,Fe) sulfide composites and correlation with natural mineral—cubanite

Mössbauer study on microwave synthesized (Cu,Fe) sulfide composites and correlation with natural mineral—cubanite

Iron-sulfur clusters—new features in enzymes and synthetic models

Interatomic Distance Predictions for Computer Simulation of Crystal Structures

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