structural function of pyrite

Pyrite - Wikipedia

Pyrite's metallic luster and pale brass-yellow hue give it a superficial resemblance to gold, hence the well-known nickname of fool's gold.The color has also led to the nicknames brass, brazzle, and Brazil, primarily used to refer to pyrite found in coal.. The name pyrite is derived from the Greek πυρίτης λίθος (pyritēs lithos), "stone or mineral which strikes fire", in turn from

PDF The mechanisms of pyrite oxidation and leaching: A

Pyriteoxidationiseconomicallyimportantinmineralflotation andleaching,twoindustrialmethodologiesusedtoseparatepyrite fromothermineralsofvalue.Oxidationcanimparthydrophobicity orhydrophilicitytopyritesurfacesandhenceinfluencesinterac- tionswithcollectorsduringflotation.Inadvertentflotationof pyriteleadstoreducedconcentrategrades,increasedsuperfluous SandFecontaminationresultinginincreasedsmeltingcosts[1,6].

Heat capacities of iron disulfides Thermodynamics of

Pyrite is formed under widely varying conditions, while the formation of marcasite is subject to strict limitations. and function - {G”(T) - H”(O)j/T are given for selected temperatures in table 2. They were obtained by appropriate computer evaluation of polynomials representing the heat capacity and extrapolation below 5 K for

Pyrite R050070 - RRUFF Database: Raman, X-ray, Infrared, and

Nickel E H (1968) Structural stability of minerals with the pyrite, marcasite, arsenopyrite and löllingite structures, The Canadian Mineralogist, 9, 311-321 Nickel E H (1969) The application of ligand-field concepts to an understanding of the structural stabilities and solid-solution limits of sulphides and related minerals, Chemical Geology

CO2-induced destabilization of pyrite-structured FeO2Hx in

Indeed, the pyrite-structured FeO 2 H x would react with CO 2 to form a high-pressure carbon-bearing phase Fe 4 C 3 O 12 at P-T conditions of the lower-mantle geotherm, as well as of those of a ‘hot’ slab path (such as Central America slabs ), and even on geotherms of cold slabs close to the core-

Pyrite (FeS2) Thin-Films for Photovoltaics - Research

Summary Pyrite is a potentially attractive and sustainable semiconductor for photovoltaic (PV) applications because of its low cost, abundance in the earth's crust, environmentally benign source material, and desirable electronic properties, such as 0.95 eV bandgap, high optical absorption coefficient, ease of n/p doping, high carrier mobility, and relatively long carrier lifetime; however

Frontiers | Mechanisms of Pyrite Formation Promoted by

Pyrite, or iron disulfide, is the most common sulfide mineral at Earth’s surface and is widespread through the geological record. Because sulfides are mainly produced by sulfate-reducing bacteria (SRB) in modern sedimentary environments, microorganisms are assumed to drive the formation of iron sulfides, in particular pyrite.

mp-226: FeS2 (cubic, Pa-3, 205

FeS2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent S+1.50- atoms to form corner-sharing FeS6 octahedra. The corner-sharing octahedral tilt angles are 64°. All Fe-S bond lengths are 2.25 Å. S+1.50- is bonded in a 3-coordinate geometry to three equivalent Fe3+ atoms.

Enhanced Photoresponse of FeS2 Films: The Role of

Besides, due to their structural similarities, intergrowth (epitaxial growth) of marcasite in (on) pyrite has been widely observed in synthetic and natural samples. 25, 22, 57 - 59 Our calculated work function of p‐FeS 2 (100) (Φ = 5.08 eV) also compares favorably with that of m‐FeS 2 (101) (Φ = 5.10 eV), which indicates the possibility of a barrier‐less or low‐barrier interface at the pyrite-marcasite junction.

Phenomenal Simulation Modelling of X-Ray Diffraction Patterns

functions. The generalised profiling functions, and their related FWHM functions are listed in Table 1. The tails of the peak between the angles characterise the limits at the left and right side of the peak, and as it as-ymptotically approaches zero intensity, they can provide a sensitivity to fit the peak using a mathematical simulation function.

Theoretical study of the structural stability for fcc-CHx

In the second part, we explore the structural stability of CH 2 in the pyrite structure. We find that We find that CH 2 (pyrite) with the hydrogen atoms defined by the internal parameter u=0.35 and a lattice parameter of 3.766 Å is

Pyrite (FeS2) Thin-Films for Photovoltaics - Research for

Pyrite is a potentially attractive and sustainable semiconductor for photovoltaic (PV) applications because of its low cost, abundance in the earth's crust, environmentally benign source material, and desirable electronic properties, such as 0.95 eV bandgap, high optical absorption coefficient, ease of n/p doping, high carrier mobility, and relatively long carrier lifetime; however, there has

What should you do if pyrite is found on your property

Pyrite is a mineral (FeS2) found in the backfill material used during construction. Regardless of the scope of the work, we will see to it that your property remains functional for you and your family. For example, removing pyrite from the basement of a single-family house requires demolition and reconstruction work, thus depriving its

Modeling the Surface Structure and Reactivity of Pyrite

Atomistic simulation techniques are used to investigate the surface structure, stability and reactivity of pyrite. We introduce a potential model for FeS2 which reproduces experimental structural parameters, elastic constants and hydration energies of pyrite.

Deep abiotic weathering of pyrite | Science

10/23/2020 · Pyrite, also called fool's gold, is an iron sulfide mineral that is very commonly found in rock but is almost nonexistent in sediments today. Pyrite oxidizes quickly and is a major source of sulfur

Calculation of electron structure by density function theory

The electron structure of FeS2 surface (100) was computed by DFT (density function theory) and the process of electron transfer in sulfide flotation was simulated through ab-initio calculation. The results show that the interaction between xanthate and FeS2 is controlled by the energy of valence band. The products and degree of the reaction depend on the density of state of valence band and

Evaluating structure selection in the hydrothermal growth

Thus, we evaluate , the driving force for the formation of the marcasite phase with respect to pyrite, at all stages of growth and as a function of the growth environment. The bulk energy of the

Powder diffraction analysis of an interstratified marcasite

Peaks corresponding to marcasite, pyrite, and both are labeled correspondingly. Note that the peaks for either marcasite or pyrite alone are broader and weaker than those corresponding to both. Depending on the thermal treatment of a given sample, the structure may be a variable mix of the CCP and HCP forms (Edwards and Lipson, 1942).

mp-2030: RuS2 (cubic, Pa-3, 205

RuS2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Ru4+ is bonded to six equivalent S2- atoms to form RuS6 octahedra that share corners with twelve equivalent RuS6 octahedra and corners with six equivalent SRu3S tetrahedra.

Structural evolution from iron sulfide nanoparticle to

pyrite. These results provide fundamental data of the mineral formation and structural behaviours of the FeS nanoparticle and pyrite in anaerobic aqueous environments. Acknowledgement We sincerely thank Y. Niwa and H. Nitani for their kind assistance and technical advice. References [1] Berner, R. A.(1967) Thermodynamic stability of

Crystalline structure and magnetic properties of pyrite

Iron pyrite (FeS 2) has attracted significant attention as a promising inorganic material in various applications, such as electrode materials for high-energy batteries, medical diagnostics, semiconductor materials, and photovoltaic solar cells.In this study, we characterized the crystalline structure and magnetic properties of FeS 2 using X-ray diffraction (XRD), vibrating sample magnetometry

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