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1.
29Si NMR shieldings have been calculated by ab initio coupled Hartree-Fock perturbation theory for the orthosilicate species Si(OH)4, Si(OH)3O-, Si(OH)2O 2 2- , Si(OH)O 3 3- and SiO 4 4- using energy optimized geometries from ab initio Hartree-Fock calculations. The shielding of Si(OH)3O- is smaller than that of Si(OH)4 by 2.7 ppm and the shielding trend along the Si(OH)4 to SiO 4 4- series is decidedly nonlinear. The unprotonated O in Si(OH)3O- is more shielded and has a much smaller electric field gradient than do the protonated oxygens. Calculated anisotropies show the largest components of the shielding to lie along or near the short Si-O bonds. Calculations employing point charges in place of H reproduce the shielding trends in T d and S 4 symmetry Si(OH)4 semiquantitatively. The calculated trends in shielding with < si-o-h=" can=" also=" be=" correlated=" with=" the=" energies=" of=" the=" si3p,o2p="> bonding orbitals.  相似文献   

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The 1370 km long 4-AR reference profile crosses the North Barents Basin, the northern end of the Novaya Zemlya Rise, and the North Kara Basin. Integrated geophysical studies including common deep point (CDP) survey and deep seismic sounding (DSS) were carried out along the profiles. The DSS was performed using autonomous bottom seismic stations (ABSS) spaced 10–20 km apart and a powerful air gun producing seismic signals with a step size of 250 m. As a result, detailed P- and S-wave velocity structures of the crust and upper mantle were studied. The basic method was ray-tracing modeling. The Earth’s crust along the entire profile is typically continental with compressional wave velocities of 5.8–7.2 km/s in the consolidated part. Crustal thickness increases from 30 km near the islands of Franz Josef Land to 35 km beneath the North Barents Basin, 50 km beneath the Novaya Zemlya Rise, and 40 km beneath the North Kara Basin. The North Barents Basin 15 km deep is characterized by unusually low velocities in the consolidated crust: The upper crust layer with velocities of 5.8–6.4 km/s has a thickness of about 15 km beneath the basin (usually, this layer wedges beneath deep sedimentary basins). Another special property of the crust in the North Barents Basin is the destroyed structure of the Moho.  相似文献   

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The evolution of nephelinitic melts in equilibrium with mica-bearing liquidus assemblages and melting relations have been studied on two silica-undersaturated joins of the KAlSiO4– Mg2SiO4– Ca2SiO4– SiO2– F system at atmospheric pressure by quench runs in sealed platinum capsules. Fluorine has been added to the batch compositions by the direct exchange of fluorine for oxygen (2F = O2−). The first join is the pseudo-ternary Forsterite – Diopside – KAlSiO3F2 system. Forsterite, diopside, F-phlogopite and leucite crystallisation fields and a fluoride-silicate liquid immiscibility solvus are present on the liquidus surface of the join. Sub-liquidus and sub-solidus phases include akermanite, cuspidine, spinel, fluorite and some other minor fluorine phases. The second system is the pseudo-binary Akermanite – F-phlogopite join that intersects the Forsterite – Diopside – KAlSiO3F2 join. Akermanite, forsterite, diopside, F-phlogopite, leucite and cuspidine are found to crystallise on the join. Forsterite (fo) and leucite (lc) are related to F-phlogopite (phl) by a reaction with the fluorine-bearing liquid: fo + lc + l = phl, and the reaction proceeds until forsterite or leucite are completely consumed. The reaction temperature and resulting phase association depend on batch composition. Thus, leucite is not stable in the sub-solidus of the Akermanite – F-phlogopite join, but is preserved in a part of the Forsterite – Diopside – KAlSiO3F2 system where forsterite reacts out, or does not crystallise at all. The phlogopite-in reaction has an important effect on the composition of the coexisting liquid. The liquids initially saturated in forsterite evolve to extremely Ca rich, larnite-normative residuals. The experimental data show that larnite-normative melilitolites can crystallise from evolved melilititic melts generated from “normal” melanephelinitic parental magmas with no normative larnite. The evolution towards melilitites requires fractionation of phlogopite-bearing assemblages under volatile pressure. Received: 3 June 1997 / Accepted: 5 January 1998  相似文献   

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The results of multicolor photometric and polarization observations of the blazar 4C 38.41 (Q 1633+382) performed at St. Petersburg State University, the Pulkovo Astronomical Observatory of the Russian Academy of Sciences, Boston University, and Steward Observatory in 2006–2017 are analyzed. Separate variable sources responsible for the observed activity are distinguished, whose power-lawspectra and high degree of polarization confirm their synchrotron nature. The observed color variability of the object (redder when brighter) can be explained by an increase in the contribution to the total emission of a red component with variable flux and a constant relative spectral energy distribution. A close correlation between the optical and gamma-ray light curves is identified, suggesting the same location of the variable sources responsible for the radiation in these bands.

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Data on the mechanisms of mantle phase transformations have come primarily from studies of analogue systems reacted experimentally at low pressures. In order to study transformation mechanisms in Mg2SiO4 at mantle pressures, forsterite () has been reacted in the stability field of -phase, at 15 GPa and temperatures up to 900° C, using a multianvil split-sphere apparatus. Transmission electron microscope studies of samples reacted for times ranging from 0.25–5.0 h show that forsterite transforms to -phase by an incoherent nucleation and growth mechanism involving nucleation on olivine grain boundaries. This mechanism and the resultant microstructures are very similar to those observed at much lower pressures in analogue systems (Mg2GeO4 and Ni2SiO4) as the result of the olivine to spinel () transformation. Metastable spinel () also forms from Mg2SiO4 olivine at 15 GPa, in addition to -phase, by the incoherent nucleation and growth mechanism. With time, the spinel progressively transforms to the stable -phase. After 1 h, spinels exhibit a highly striated microstructure along {110} and electron diffraction patterns show streaking parallel to [110] which indicates a high degree of structural disorder. High resolution imaging shows that the streaking results from thin lamellae of -phase intergrown with the spinel. The two phases have the orientation relationship [001]//[001] and [010]//[110] so that the quasi cubic-close-packed oxygen sublattices are continuous between both phases. These microstructures are similar to those observed in shocked meteorites and show that spinel transforms to -phase by a martensitic (shear) mechanism. There is also evidence that the mechanism changes to one involving diffusion-controlled growth at conditions close to equilibrium.  相似文献   

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The results of multi-color photometric and polarization observations of the blazar S4 0954+658 carried out mainly in the Astronomical Institute of St. Petersburg State University and the Central Astronomical Observatory of the Russian Academy of Sciences in 2008–2012 are analyzed. Individual variable components that are responsible for the activity are distinguished; the power-law spectrum and high degree of polarization confirm that the emission is synchrotron radiation. Modeling the observed dependences between the parameters of the polarization and intensity is used to derive parameters of both the constant and the variable components of the radiation. The observed color variability (“the brighter, the bluer”) can be explained by the superposition of a red constant component and a bluer variable component with a constant relative spectral energy distribution.  相似文献   

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New internally consistent interpretations of the phases represented by the high pressure phase shock wave data for an albite-rich rock, Jadeite, and nepheline in the system NaAlSiO4-SiO2, are obtained using the results of static high pressure investigations, and the recent discovery of the hollandite phase in a shocked meteorite. We conclude that nepheline transforms directly to the calcium ferrite structure, whereas albite transforms possibly to the hollandite structure. Shock Hugoniots for the other plagioclase and alkali feldspars also indicate that these transform to hollandite structures. The pressure-volume data at high pressure could alternatively represent the compression of an amorphous phase. Moreover, the shock Hugoniot data are expected to reflect the properties of the melt above shock stresses of 60–80 GPa. The third order Birch-Murnaghan equation of state parameters are: Kos=275±38 GPa and Kos=1.6±1.5 for the calcium ferrite type NaAlSiO4, Kos=186±33 GPA and Kos=2.6±1.7 for the albite-rich hollandite, Kos=236±45 GPa and Kos=2.3±2.0 for the orthoclase-rich hollandite, and Kos=190 to 210 GPa and Kos2.2 for the anorthite-rich hollandite.  相似文献   

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Investigations into the most plausible causes which triggered the Late Miocene global expansion of C4 grasslands have reached no consensus and are still being debated. The global decline in CO2 levels in the Late Miocene has been thought to be the most common driver. Although C4 grassland expansion was largely confined to the Late Miocene, their first appearance varied significantly in different parts of the Old and New world and therefore emphasizes role of local and/or regional factors may or may not be in combination with one or more global factors. The dynamic Himalayan orogen constitutes a significant global tectonic event that is believed to have affected global climate. Hence, a study of the Himalayan foreland basin sediments could help in gleaning out possible causes behind this major paleoecologic event, which could perhaps be directly or indirectly related. Stable carbon isotope analyses of a total of 141 pedogenic carbonates in the Mio-Pleistocene Siwalik paleosols of the Ramnagar sub-basin are coherent, providing a better insight into paleovegetational changes across the sub-basin on temporal and spatial scales. Furthermore, paleovegetational history during Oligocene is reconstructed from Dagshai paleosols exposed in the Subathu sub-basin. The isotopic results show dominance of C3 vegetation pre-7 Ma and dominance of C4 vegetation post-5 Ma. Percentage abundance of C4 vegetation was less than 20 % pre-7 Ma but increased to more than 40 % post-5 Ma, reaching up to 100 % in the youngest analyzed sediments. There is exclusive dominance of C3 vegetation during Oligocene. These results conform to the pattern of change in vegetation documented in other parts of the Himalayan belt. The global expansion of C4 grasslands largely during Late Miocene have long been linked with then climate changes, particularly brought by declining atmospheric CO2 level, large-scale fires, intensification of monsoon, seasonality, and aridity as demonstrated by various researchers. These major hypotheses explaining expansion of C4 grasslands during Late Miocene are not very convincing due to significant shortcomings associated with them, for example, expansion of C4 grasslands in non-monsoonal regions put serious constraints on the monsoonal intensification hypothesis. Likewise, aridity as being the primary driver of C4 grassland expansion seems hard to support since there is no substantial evidence that could suggest global onset of arid conditions at about same geologic time, and some most arid periods, like the Triassic, show no evidence of C4 plants. We suggest that the initial lowering of CO2 below 450 ppmV created an environment for the beginning of C4 vegetation, but the persistence of this threshold value for a considerable time during Late Miocene appears to be the probable cause of the Late Miocene global expansion of C4 grasslands irrespective of their time of first appearance. It has been deduced through the correlation of Himalayan tectonic events with atmospheric CO2 levels and paleovegetational changes since Upper Miocene times that it was indeed the Late Miocene continuous, intense tectonic instability of the Himalayas that significantly decreased atmospheric CO2 levels and which perhaps played a key role in changing the nature of photosynthetic pathways.  相似文献   

12.
Summary Niedermayrite, Cu4Cd(SO4)2(OH)6 · 4H2O, is a new mineral discovered in 1995 in the Km3-area of the Lavrion mining district, Greece. It forms tiny euhedral plates, commonly intergrown as green crusts up to several cm2 in size on a matrix consisting of a brecciated marble with sphalerite, chalcopyrite, galena, greenockite, hawleyite and pyrite. Associated secondary minerals are gypsum, malachite, chalcanthite, brochantite, hemimorphite, hydrozincite, aurichalcite, one unknown Cd-sulfate, monteponite and otavite. Niedermayrite is non-fluorescent and has a bluish-green colour with vitreous lustre, the streak is white. The crystals are brittle with perfect cleavage parallel {010}. Optics: biaxial (–) with n(calc.), n, and n =1.609, 1.642(2), and 1.661(2), respectively; orientation n//b. The calculated density is 3.292 gcm–3. The most prominent form is {010}. Analysis by electron microprobe gives CdO 16.5, CuO 45.7, SO3 21.6, H2O 16.2 wt.% (calc. to 100% sum) and the empirical formula Cu4.29Cd0.96S2.01O11.28 · 6.71 H2O (based on 18 oxygens p.f.u.). By TGA an H2O content of 18.9 wt.% was obtained. The ideal formula (confirmed by the crystal structure refinement) is Cu4Cd(SO4)2(OH)6 · 4H2O with a theoretical H2O content of 17.2 wt.%. The strongest lines in the X-ray powder diffraction pattern (Gandolfi camera, visually estimated I, refined lattice parameters a = 5.535(2), b = 21.947(9), c = 6.085(2) Å, = 91.98(3)°) are: (dobs[Å]/Iobs/hkl) (11.02/90/0 2 0), (5.874/20/0 1 1), (5.496/100/0 4 0), (5.322/25/0 2 1), (4.079/50/0 4 1), (3.660/20/0 6 0), (3. 437/30/1 5 0), (3.243/40/1 4 1), (2.470/30/2 4 0), (2.425/20/1 4 –2), (2.205/20/2 6 0) and (1.897/20/1 8 2). The mineral is monoclinic, P21/m, Z = 2, a = 5.543(1) Å, b = 21.995(4) Å, c = 6.079(1) Å, = 92.04(3)°, V = 740.7(2) Å3. The crystal structure was determined by single crystal X-ray methods and was refined to R1= 0.026, wR2 = 0.056. The structure of niedermayrite is characterized by 2 [Cu4(OH)6O2]2– sheets of edgesharing Cu coordination octahedra parallel to (010) with attached SO4 tetrahedra, and intercalated CdO2(H2O)4 octahedra with a system of hydrogen bonds. Close relationships to the crystal structures of christelite and campigliaite exist. The new mineral is named for Dr. Gerhard Niedermayr, Naturhistorisches Museum Wien, Austria.
Niedermayrit, Cu4Cd(SO4)2(OH)6 · 4H2O, ein neues Mineral aus dem Bergbaugebiet Lavrion, Griechenland
Zusammenfassung Niedermayrit, Cu4Cd(SO4)2(OH)6 · 4H2O, ist ein neues Mineral, das 1995 im Km3-Bereich des Bergbaugebietes Lavrion, Griechenland, gefunden wurde. Es bildet winzige gut ausgebildete Plättchen, häufig miteinander verwachsen in grünen Krusten bis zu mehreren cm2 Größe. Die Matrix besteht aus brecciösem Marmor mit Sphalerit, Chalcopyrit, Galenit, Greenockit, Hawleyit und Pyrit. Sekundäre Begleitminerale sind Gips, Malachit, Chalcanthit, Brochantit, Hemimorphit, Hydrozincit, Aurichalcit, ein unbekanntes Cd-Sulfat, Monteponit und Otavit. Niedermayrit fluoresziert nicht, besitzt blaugrüne Farbe mit Glasglanz, der Strich ist weiß. Die Kristalle sind spröd mit perfekter Spaltbarkeit parallel {010}. Optik: biaxial (–) mit n(ber.), n, und n=1.609, 1.642(2), und 1.661(2); Orientierung n//b. Die berechnete Dichte beträgt 3.292 gcm–3. Die auffallendste Flächenform ist {010}. Die chemische Analyse mittels Mikrosonde ergibt CdO 16.5, CuO 45.7, SO3 21.6, H2O 16.2wt.% (ber. auf 100% Summe) und die empirische Formel Cu4.29Cd0.96S2.01O11.28 · 6.71 H2O (basierend auf 18 Sauerstoffatomen pro Formeleinheit). Aus der TGA wurde ein H2O Gehalt von 18.9 Gew.% erhalten. Die Idealformel (bestätigt durch die Kristallstrukturverfeinerung) ist Cu4Cd(SO4)2(OH)6 · 4H2O bei einem theoretischen H2O-Gehalt von 17.2 Gew.%. Die stärksten Linien im Pulverdiffraktogramm (Gandolfi Kamera, visuell geschätzte I, verfeinerte Gitterkonstanten a = 5.535(2), b = 21.947(9), c = 6.085(2) Å, = 91.98(3)°) sind: (dobs[Å]/Iobs/hkl) (11.02/90/0 2 0), (5.874/20/0 1 1), (5.496/100/0 4 0), (5.322/25/0 2 1), (4.079/50/0 4 1), (3.660/20/0 6 0), (3.437/30/1 5 0), (3.243/40/1 4 1), (2.470/30/2 4 0), (2.425/20/1 4 –2), (2.205/20/2 6 0) und (1.897/20/1 8 2). Das Mineral ist monoklin, P21/m, Z = 2, a = 5.543(1) Å, b = 21.995(4) Å, c = 6.079(1) Å, = 92.04(3)°, V = 740.7(2) Å3 Die Kristallstruktur wurde mittels Einkristallröntgenmethoden bestimmt und zu R1 = 0.026, wR2 = 0.056 verfeinert. Die Struktur von Niedermayrit ist durch 2 [Cu4(OH)6O2]2– Schichten von kantenverknüpften Cu-Koordinationsoktaedern parallel (010) gekennzeichnet mit damit verbundenen SO4 Tetraedern und dazwischen befindlichen CdO2(H2O)4 Oktaedem mit einem Wasserstoffbrückensystem. Es bestehen enge Beziehungen mit den Kristallstrukturen von Christelit und Campigliait. Das neue Mineral ist nach Dr. Gerhard Niedermayr, Naturhistorisches Museum Wien, Österreich, benannt.


With 7 Figures  相似文献   

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The influence of Al–Cr substitution on the spinel structure was studied in synthetic single crystals belonging to the FeCr2O4–FeAl2O4 series produced by flux growth at 1,000–1,300 °C in controlled atmosphere. Samples were characterized by single-crystal X-ray diffraction, electron microprobe analyses and Mössbauer spectroscopy. Crystals of sufficient size and quality for single-crystal X-ray diffraction were obtained in the ranges Chr0–0.45 and Chr70–100 but not for intermediate compositions, possibly due to a reduced stability in this range. The increase in chromite component leads to an increase in the cell edge from 8.1534 (6) to 8.3672 (1) Å and a decrease in the u parameter from 0.2645 (2) to 0.2628 (1). Chemical analyses show that Fe2+ is very close to 1 apfu (0.994–1.007), Al is in the range 0.0793–1.981 apfu, Cr between 0 and 1.925 apfu. In some cases, Fe3+ is present in amounts up to 0.031 apfu. Spinels with intermediate Cr content (Chr component between 40 and 60) are strongly zoned with Cr-rich cores and Cr-poor rims. Mössbauer analyses on powdered spinels of the runs from which single crystal has been used for X-ray structural data show values of Fe3+/Fetot consistently larger than that calculated by EMPA on single crystals, presumably due to chemical variation between single crystals from the same runs. The synthesis runs ended at a temperature of 1,000 °C, but it is possible that cation ordering continued in the Cr-poor samples towards lower temperatures, possibly down to 700 °C.  相似文献   

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Doklady Earth Sciences - This article presents the 190Pt–4He dating results of native platinum group minerals from a unique platinum-metals placer deposit in the basin of the Kondyor and...  相似文献   

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1IntroductionQuite a number of porphyry copper deposits havebeen found in the Cenozoic alkali-intrusions along theJinshajiang-Ailaoshan-Red River fault zone,whichconstitute the Cenozoic ore belt in China.The Cenozo-ic alkali-intrusive rocks are similar in…  相似文献   

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The Taipinghu Bridge is an important project, and the safety of rock masses of its foundation is very crucial. This article analyzes the potential causes of the deformation of the rock masses of the bridge foundation, and uses the Fast Lagrangian Analysis of Continua to analyze the geologic model. The simulating process shows that no mater in the excavating process or in the loading process the rock masses are suit for the engineering. The modeling and analyzing process can be used for reference.  相似文献   

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This work aims to quantify sulfate ion concentrations in the system Na2SO4-H2O using Raman micro-spectroscopy.Raman spectra of sodium sulfate solutions with known concentrations were collected at ambient temperature(293 K) and in the 500 cm1-4000 cm-1 spectral region.The results indicate that the intensity of the SO42- band increases with increasing concentrations of sulfate ion.A linear correlation was found between the concentration of SO42-(c) and parameter I1,which represents the ratio of the area of the SO42- band to that of the O-H stretching band of water(As/Aw):I1=-0.00102+0.01538 c.Furthermore,we deconvoluted the O-H stretching band of water(2800 cm-1-3800 cm-1) at 3232 and 3430 cm-1 into two sub-Gaussian bands,and then defined Raman intensity of the two sub-bands as ABi(3232 cm-1) and AB2(3430 cm-1),defined the full width of half maximum(FWHM) of the two sub-bands as WB1(3232 cm-1) and WB2(3430 cm-1).A linear correlation between the concentration of SO42-(c) and parameter I2,which represents the ratio of Raman intensity of SO42-(As)(in 981 cm-1) to(AB1+AB2),was also established:I2=-0.0111+0.3653 c.However,no correlations were found between concentration of SO42-(c) and FWHM ratios,which includes the ratio of FWHM of SO42-(Ws) to WB1 WB2 and WB1+B2(the sum of WB1 and WB2),suggesting that FWHM is not suitable for quantitative studies of sulfate solutions with Raman spectroscopy.A comparison of Raman spectroscopic studies of mixed Na2SO4 and NaCI solutions with a constant SO42- concentration and variable CI- concentrations suggest that the I\ parameter is affected by CI-,whereas the I2 parameter was not.Therefore,even if the solution is not purely Na2SO4-H2O,SO42- concentrations can still be calculated from the Raman spectra if the H2O band is deconvoluted into two sub-bands,making this method potentially applicable to analysis of natural fluid inclusions.  相似文献   

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