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1.
The distribution and textural features of staurolite–Al2SiO5 mineral assemblages do not agree with predictions of current equilibrium phase diagrams. In contrast to abundant examples of Barrovian staurolite–kyanite–sillimanite sequences and Buchan‐type staurolite–andalusite–sillimanite sequences, there are few examples of staurolite–sillimanite sequences with neither kyanite nor andalusite anywhere in the sequence, despite the wide (~2.5 kbar) pressure interval in which they are predicted. Textural features of staurolite–kyanite or staurolite–andalusite mineral assemblages commonly imply no reaction relationship between the two minerals, at odds with the predicted first development (in a prograde sense) of kyanite or andalusite at the expense of staurolite in current phase diagrams. In a number of prograde sequences, the incoming of staurolite and either kyanite, in Barrovian sequences, or andalusite, in Buchan‐type sequences, is coincident or nearly so, rather than kyanite or andalusite developing upgrade of a significant staurolite zone as predicted. The width of zones of coexisting staurolite and either kyanite, in Barrovian sequences, or andalusite, in Buchan‐type sequences, is much wider than predicted in equilibrium phase diagrams, and staurolite commonly persists upgrade until its demise in the sillimanite zone. We argue that disequilibrium processes provide the best explanation for these mismatches. We suggest that kyanite (or andalusite) may develop independently and approximately contemporaneously with staurolite by metastable chlorite‐consuming reactions that occur at lower P–T conditions than the thermodynamically predicted staurolite‐to‐kyanite/andalusite reaction, a process that involves only modest overstepping (<15°C) of the stable chlorite‐to‐staurolite reaction and which is favoured, in the case of kyanite, by advantageous nucleation kinetics. If so, the pressure difference between Barrovian kyanite‐bearing sequences and Buchan andalusite‐bearing sequences could be ~1 kbar or less, in better agreement with the natural record. The unusual width of coexistence of staurolite and Al2SiO5 minerals, in particular kyanite and andalusite, can be accounted for by a combination of lack of thermodynamic driving force for conversion of staurolite to kyanite or andalusite, sluggish dissolution of staurolite, and possibly the absence of a fluid phase to catalyse reaction. This study represents an example of how kinetic controls on metamorphic mineral assemblage development have to be considered in regional as well as contact metamorphism.  相似文献   

2.
Potential protonation sites for, kyanite, sillimanite, and andalusite, located in a mapping of the (3, −3) critical points displayed by their L(r) = −∇2ρ(r) distributions, are compared with polarized single-crystal FTIR spectra of kyanite and sillimanite determined earlier and with andalusite measured in this study. For andalusite, seven peaks were observed when the electric vector, E, is parallel to [100]: four intense ones at 3,440, 3,460, 3,526, and 3,597 cm−1 and three weaker ones at 3,480, 3,520, and 3,653 cm−1. Six peaks, three intense ones at 3,440, 3,460, and 3,526 cm−1 and three weaker ones at 3,480, 3,520, and 3,653 cm−1 when E parallels [010]. No peaks were observed when E is parallel to [001]. The concentration of water in andalusite varies between 110 and 168 ppm by weight % H2O. Polarized FTIR spectra indicate that the OH vector is parallel to (001) in andalusite and sillimanite and in kyanite. Examination of the L(r) (3, −3) critical points in comparison with the polarized FTIR indicates that H prefers to bond to the oxygen atoms O1 and O2 in andalusite and O2 and O4 in sillimanite which correspond to the underbonded oxygen atoms and those with the largest L(r) maxima. In kyanite, comparison of the FTIR spectrum and the critical points indicates that H will preferentially bond to the two 4-coordinated O2 and O6 atoms.  相似文献   

3.
Quartz‐rich veins in metapelitic schists of the Sanandaj‐Sirjan belt, Hamadan region, Iran, commonly contain two Al2SiO5 polymorphs, and, more rarely, three coexisting Al2SiO5 polymorphs. In most andalusite and sillimanite schists, the types of polymorphs in veins correlate with Al2SiO5 polymorph(s) in the host rocks, although vein polymorphs are texturally and compositionally distinct from those in adjacent host rocks; e.g. vein andalusite is enriched in Fe2O3 relative to host rock andalusite. Low‐grade rocks contain andalusite + quartz veins, medium‐grade rocks contain andalusite + sillimanite + quartz ± plagioclase veins, and high‐grade rocks contain sillimanite + quartz + plagioclase veins/leucosomes. Although most andalusite and sillimanite‐bearing veins occur in host rocks that also contain Al2SiO5, kyanite‐quartz veins crosscut rocks that lack Al2SiO5 (e.g. staurolite schist, granite). A quartz vein containing andalusite + kyanite + sillimanite + staurolite + muscovite occurs in andalusite–sillimanite host rocks. Textural relationships in this vein indicate the crystallization sequence andalusite to kyanite to sillimanite. This crystallization sequence conflicts with the observation that kyanite‐quartz veins post‐date andalusite–sillimanite veins and at least one intrusive phase of a granite that produced a low‐pressure–high‐temperature contact aureole; these relationships imply a sequence of andalusite to sillimanite to kyanite. Varying crystallization sequences for rocks in a largely coherent metamorphic belt can be explained by P–T paths of different rocks passing near (slightly above, slightly below) the Al2SiO5 triple point, and by overprinting of multiple metamorphic events in a terrane that evolved from a continental arc to a collisional orogen.  相似文献   

4.
Torsion experiments were performed on the Al2SiO5 polymorphs in the sillimanite stability field to determine basic rheological characteristics and the effect of deformation on polymorphic transformation. The experiments resulted in extensive transformation of andalusite and kyanite to sillimanite. No transformation occurred during the hot-press (no deformation) stage of sample preparation, which was carried out at similar P–T conditions and duration as the torsion experiments. Experiments were conducted on fine-grained (< 15 µm) aggregates of natural andalusite, kyanite and sillimanite at 1250 °C, 300 MPa, and a constant shear strain rate of 2 × 10− 4/s to a maximum shear strain of 400%. Electron back-scattered diffraction (EBSD) analysis of the experiments revealed development of lattice-preferred orientations, with alignment of sillimanite and andalusite [001] slightly oblique to the shear plane. The kyanite experiment could not be analyzed using EBSD because of near complete transformation to sillimanite. Very little strain ( 30%) is required to produce widespread transformation in kyanite and andalusite. Polymorphic transformation in andalusite and kyanite experiments occurred primarily along 500 µm wide shear bands oriented slightly oblique and antithetic to the shear plane and dominated by sub-µm (100–150 nm) fibrolitic sillimanite. Shear bands are observed across the entire strain field preserved in the torsion samples. Scanning transmission electron microscope imaging shows evidence for transformation away from shear bands; e.g. fibrolitic rims on relict andalusite or kyanite. Relict grains typically have an asymmetry that is consistent with shear direction. These experimental results show that sillimanite is by far the weakest of the polymorphs, but no distinction can yet be made on the relative strengths of kyanite and andalusite. These observations also suggest that attaining high bulk strain energy in strong materials such as the Al2SiO5 polymorphs is not necessary for triggering transformation. Strain energy is concentrated along grain boundaries, and transformation occurs by a dynamic recrystallization type process. These experiments also illustrate the importance of grain-size sensitive creep at high strains in a system with simultaneous reaction and deformation.  相似文献   

5.
Oxygen‐isotope compositions of kyanite, andalusite, prismatic sillimanite and fibrolite from the Proterozoic terrane in the Truchas Mountains, New Mexico differ from one another, suggesting that these minerals did not grow in equilibrium at the Al2SiO5 (AS) polymorph‐invariant point as previously suggested. Instead, oxygen‐isotope temperature estimates indicate that growth of kyanite, andalusite and prismatic sillimanite occurred at c. 575, 615 and 640 °C respectively. Temperature estimates reported in this paper are interpreted as those of growth for the different AS polymorphs, which are not necessarily the same as peak metamorphic temperatures for this terrane. Two distinct temperature estimates of c. 580 °C and c. 700 °C are calculated for most fibrolite samples, with two samples yielding clear evidence of quartz‐fibrolite oxygen‐isotope disequilibrium. These data indicate that locally, and potentially regionally, oxygen‐isotope disequilibrium between quartz and fibrolite may have resulted from rapid fibrolite nucleation. Pressures of mineral growth that were extrapolated from oxygen‐isotope thermometry results and calculated using petrological constraints suggest that kyanite and one generation of fibrolite grew during M1 at 5 kbar, and that andalusite, prismatic sillimanite and a second generation of fibrolite grew during M2 at 3.5 kbar. M1 and M2 therefore represent two distinct metamorphic events that occurred at different crustal levels. The ability of the AS polymorphs to retain δ18O values of crystallization make these minerals ideal to model prograde‐growth histories of mineral assemblages in metamorphic terranes and to understand more clearly the pressure–temperature histories of multiple metamorphic events.  相似文献   

6.
The unit-cell dimensions and crystal structure of sillimanite at various pressures up to 5.29 GPa have been refined from single-crystal X-ray diffraction data. As pressure increases, a and b decrease linearly, whereas c decreases nonlinearly with a slightly positive curvature. The axial compression ratios at room pressure are βa:βb:βc=1.22:1.63:1.00. Sillimanite exhibits the least compressibility along c, but the least thermal expansivity along a (Skinner et al. 1961; Winter and Ghose 1979). The bulk modulus of sillimanite is 171(1) GPa with K′=4 (3), larger than that of andalusite (151 GPa), but smaller than that of kyanite (193 GPa). The bulk moduli of the [Al1O6], [Al2O4], and [SiO4] polyhedra are 162(8), 269(33), and 367(89) GPa, respectively. Comparison of high-pressure data for Al2SiO5 polymorphs reveals that the [SiO4] tetrahedra are the most rigid units in all these polymorphic structures, whereas the [AlO6] octahedra are most compressible. Furthermore, [AlO6] octahedral compressibilities decrease from kyanite to sillimanite, to andalusite, the same order as their bulk moduli, suggesting that [AlO6] octahedra control the compression of the Al2SiO5 polymorphs. The compression of the [Al1O6] octahedron in sillimanite is anisotropic with the longest Al1-OD bond shortening by ～1.9% between room pressure and 5.29 GPa and the shortest Al1-OB bond by only 0.3%. The compression anisotropy of sillimanite is primarily a consequence of its topological anisotropy, coupled with the compression anisotropy of the Al-O bonds within the [Al1O6] octahedron.  相似文献   

7.
The Origin of Sillimanite in Glen Clova, Angus   总被引：2，自引：3，他引：2  
At the sillimanite isograd in Glen Clova, sillimanite appearsto have formed within biotite, rather than in kyanite. Biotiteis thought to have been a nucleating agent, the trigonally arrangedoxygen octahedra and tetrahedra in the alternate mica layersacting as nuclei for the growth of the octahedral Al–Oand the tetrahedral (Al, Si)–O chains that constitutethe sillimanite structure. Nucleation seems to have been dominantlyepitaxial; no permanent breakdown of biotite was involved, andit is suggested that Al and Si for sillimanite growth was mainlyderived from the solution of unstable kyanite.  相似文献   

8.
This paper is an extension of the earlier one dealing with kyanite in which the best fitting value of the oxygen ligand distance for Cr3+ is adopted to study the spectroscopic properties of Cr3+ ions doped at the two possible Al sites in the other two polymorphs of the aluminosilicate group (Al2O3 · SiO2), namely, andalusite and sillimanite. The superposition model and the crystal field analysis package recently developed for 3d ions doped at arbitrary low symmetry sites in crystals are used to predict energy levels and statevectors within the whole 3d 3 configuration. Then the values of the ground state zerofield splitting for Cr3+ ions at each Al sites in the two crystals are obtained. The splittings of the lower excited states 2 E and 4 T 2 as well as the admixture of 4 T 2 into 2 E have also been predicted. Comparison of our results with the available experimental data enable us to correlate the optical and EPR Spectroscopic properties with the substitutional Cr3+ sites. The conclusion is that in andalusite and sillimanite only the Al sites with nearly-octahedral six-fold coordination seem to be occupied by Cr3+ ions.  相似文献   

9.
Raman spectra of the three Al2SiO5 polymorphs; andalusite, sillimanite and kyanite were recorded as a function of pressure at room temperature. All the Raman active bands which could be observed from the high-pressure cell showed a linear pressure dependence for each of the three Al2SiO5 polymorphs and no phase changes were observed over the pressure ranges used in this study. In andalusite and to a lesser extent in sillimanite, vibrations which could be correlated with internal motions of the SiO4 tetrahedra were generally well separated from the lattice modes and showed a greater pressure dependence than that observed for other modes. The distinct pressure dependence of the internal SiO4 modes is less evident in kyanite, probably due to the lack of continuous tetrahedral chains and the fact that the rigid SiO4 tetrahedra now form an integral part of the structural network. At ambient pressure, kyanite also exhibits two fluorescence bands at 705 and 706.2 nm which are due to small amounts of Cr3+ in the kyanite crystals. These fluorescence bands showed a non-linear frequency shift as pressure was increased.  相似文献   

10.
The oxygen isotope fractionation between kyanite and calcium carbonate has been investigated experimentally at four temperatures in the range between 625 and 775 °C at 13 kbar. Because of low exchange rates, the isotopic reaction was enhanced by polymorphic transformation of andalusite to kyanite. With this experimental modification a close approach to equilibrium was reached in all runs. The temperature dependence of the equilibrium fractionation is described by the equation 1000 ln ky-cc=−2.62×106/T 2. Application of the experimental results to natural quartz-kyanite-garnet assemblages indicates the preservation of the oxygen isotope composition of kyanite acquired during its formation, reflecting its extremely low oxygen diffusivity. This refractory behaviour restricts the use of kyanite for thermometry but opens the possibility to use its O-isotope composition as an indicator for recognition of polymetamorphic rock histories and reconstruction of the prograde evolution of a metamorphic sequence. Received: 8 June 1998 / Accepted: 24 August 1998  相似文献   

11.
The Ross of Mull pluton consists of granites and granodioritesand intrudes sediments previously metamorphosed at amphibolitefacies. The high grade and coarse grain size of the protolithis responsible for a high degree of disequilibrium in many partsof the aureole and for some unusual textures. A band of metapelitecontained coarse garnet, biotite and kyanite prior to intrusion,and developed a sequence of textures towards the pluton. InZone I, garnet is rimmed by cordierite and new biotite. In ZoneII, coarse kyanite grains are partly replaced by andalusite,indicating incomplete reaction. Coronas of cordierite + muscovitearound kyanite are due to reaction with biotite. In the higher-gradeparts of this zone there is complete replacement of kyaniteand/or andalusite by muscovite and cordierite. Cordierite chemistryindicates that in Zone II the stable AFM assemblage (not attained)would have been cordierite + biotite + muscovite, without andalusite.The observed andalusite is therefore metastable. Garnet is unstablein Zone II, with regional garnets breaking down to cordierite,new biotite and plagioclase. In Zone III this breakdown is welladvanced, and this zone marks the appearance of fibrolite andK-feldspar in the groundmass as a result of muscovite breakdown.Zone IV shows garnet with cordierite, biotite, sillimanite,K-feldspar and quartz. Some garnets are armoured by cordieriteand are inferred to be relics. Others are euhedral with Mn-richcores. For these, the reaction biotite + sillimanite + quartz garnet + cordierite + K-feldspar + melt is inferred. Usinga petrogenetic grid based on the work of Pattison and Harte,pressure is estimated at 3·2 kbar, and temperature atthe Zone II–III boundary at 650°C and in Zone IV asat least 750°C. KEY WORDS: contact metamorphism; disequilibrium  相似文献   

12.
Aluminum silicate triple-point occurrences are common in metamorphicrocks of northern New Mexico. The three polymorphs show extensivesolid solution, with Fe and Mn substituting for Al. Mineraltextures, the spatial distribution of phases, and the systematicpartitioning of Fe and Mn indicate that the kyanite-andalusite-sillimaniteassemblages crystallized in equilibrium. The compositions ofminerals in the three-phase assemblage vary across the studyarea, recording regional variations in the pressures and temperaturesof metamorphism. The highest-pressure rocks, exposed at RioMora, contain kyanite at higher elevations and sillimanite atlower elevations. A sub-horizontal isograd separates the twominerals. Kyanite and sillimanite have nearly identical Fe contentwhich varies systematically with XFe2O3 in hematite or ilmenite.Andalusite occurs only along a single manganiferous layer, incrystals rich in MnAlSiO5 and saturated in FeAlSiO5. Triple-pointassemblages can be found wherever the folded manganiferous layercrosses the unfolded kyanite-sillimanite isograd. The TruchasRange, preserving slightly lower pressures of metamorphism,shows kyanite-andalusite-sillimanite in rocks with titaniferoushematite. Andalusite is enriched in Fe relative to kyanite andsillimanite, but no polymorphs contain Mn. Rocks with lowerXFe2O3 in hematite have kyanite and sillimanite without andalusite,whereas rocks with pure hematite contain only andalusite. Theshallowest erosional levels are preserved in the western PicurisRange where the three polymorphs occur as pure minerals in ilmenite-bearingrocks. Hematitic samples contain only andalusite which showsextensive solid solution of both Fe and Mn. The assemblage kyanite-andalusite-sillimanite is not invariant.Iron and manganese both add degrees of freedom. These transitionmetals have stabilized the three-phase assemblage, in apparentchemical equilibrium, across a P-T interval of 500-540 ?C, 3?8-4?6kb in rocks from New Mexico. The saturation level of FeAlSiO5in andalusite does not vary with Mn content but does vary withpressure and temperature. Calculations indicate that a 2-3 kbdecrease in pressure or a 25-50 ?C increase in temperature resultsin a 1 mole per cent increase in XFeAlSiO5 in iron-saturatedandalusite.  相似文献   

13.
Constraints from P-T pseudosections (MnNCKFMASH system), foliation intersection/inflection axes preserved in porphyroblasts (FIAs), mineral assemblages and textural relationships for rocks containing all three Al2SiO5 polymorphs indicate a kyanite→ andalusite→ sillimanite sequential formation at different times rather than stable coexistence at the Al2SiO5 triple point. All three Al2SiO5 polymorphs grew in the Chl, Bt, Ms, Grt, St, Pl and Crd bearing Ordovician Clayhole Schist in Balcooma, northeastern Australia separately along a looped P-T-t-D path that swaps from clockwise to anticlockwise in the tectono-metamorphic history of the region. Kyanite grew during crustal thickening in an Early Silurian Orogenic event followed by decompression/heating, andalusite and fibrolitic sillimanite growth during Early Devonian exhumation.  相似文献   

14.
Al2SiO5 reaction textures in aluminous schist and quartziteof the northern Picuris range, north-central New Mexico, recorda paragenetic sequence of kyanite to sillimanite to andalusite,consistent with a clockwise P–T loop, with minor decompressionnear the Al2SiO5 triple-point. Peak metamorphic temperaturesare estimated at 510–525°C, at 4·0–4·2kbar. Kyanite and fibrolite are strongly deformed; some prismaticsillimanite, and all andalusite are relatively undeformed. Monaziteoccurs as inclusions within kyanite, mats of sillimanite andcentimetre-scale porphyroblasts of andalusite, and is typicallyaligned subparallel to the dominant regional foliation (S0/S1or S2) and extension lineation (L1). Back-scatter electron imagesand X-ray maps of monazite reveal distinct core, intermediateand rim compositional domains. Monazite–xenotime thermometryfrom the intermediate and rim domains yields temperatures of405–470°C (±50°C) and 500–520°C(±50°C), respectively, consistent with the progradeto peak metamorphic growth of monazite. In situ, ion microprobeanalyses from five monazites yield an upper intercept age of1417 ± 9 Ma. Near-concordant to concordant analyses yield207Pb–206Pb ages from 1434 ± 12 Ma (core) to 1390± 20 Ma (rim). We find no evidence of older regionalmetamorphism related to the 1650 Ma Mazatzal Orogeny. KEY WORDS: Al2SiO5; metamorphism; monazite; thermochronometry; triple-point  相似文献   

15.
Metamorphic zones in the Chinese Altai orogen have previously been separated into the kyanite- and andalusite-types, the andalusite-type being spatially more extensive. The kyanite-type involves a zonal sequence of biotite, garnet, staurolite, kyanite, sillimanite and, locally, garnet–cordierite zones. The andalusite-type zonal sequence is similar: it includes biotite, garnet and staurolite zones at lower-T conditions and sillimanite and garnet–cordierite zones at higher-T conditions, but additionally contains staurolite–andalusite and andalusite–sillimanite zones at intermediate-T conditions. As relic kyanite-bearing assemblages commonly persist in the staurolite–andalusite, andalusite–sillimanite and sillimanite zones, it is not clear that the distinction is valid. On the basis of a reevaluation of phase relations modelled in KMnFMASH and KFMASH pseudosections, kyanite and andalusite-bearing rocks of the Chinese Altai orogen record, respectively, the typical burial and exhumation history of the terrane. Mineral assemblages distributed through the various zones reflect a mix of portions of the ambient P–T array and the effects of evolving P–T conditions. The comparatively low-T biotite, garnet and staurolite zones mostly preserve kyanite-type peak assemblages that only experienced minor changes during exhumation. Rocks in the comparatively high-T sillimanite and garnet–cordierite zones are dominated by mineral assemblages of a transitional sillimanite type, having formed by the extensive modification of earlier higher pressure assemblages during exhumation. Only rocks in the intermediate-T kyanite and probably some lower sillimanite zones were clearly recrystallized by late stage andalusite metamorphism, producing the staurolite–andalusite and andalusite–sillimanite zones. This andalusite metamorphism could not reach an equilibrium state because of limited fluid availability.  相似文献   

16.
The assemblage Mg-cordierite — corundum is formed stably through the reaction chlorite+Al-silicate=cordierite+corundum+H2O at 535° C, 2kb; 615°, 5 kb; and 665° C, 7 kb water pressure. In the order of increasing pressure andalusite, sillimanite, and kyanite participate as stable phases in this equilibrium. A spinel-Al-silicate tie-line is only stable at high temperatures not likely to be attained in rocks. The natural assemblage spinel-Al-silicate is, however, to be explained by the additional presence of FeO in these rocks.  相似文献   

17.
The Priest pluton contact aureole in the Manzano Mountains, central New Mexico preserves evidence for upper amphibolite contact metamorphism and localized retrograde hydrothermal alteration associated with intrusion of the 1.42 Ga Priest pluton. Quartz–garnet and quartz–sillimanite oxygen isotope fractionations in pelitic schist document an increase in the temperatures of metamorphism from 540 °C, at a distance of 1 km from the pluton, to 690 °C at the contact with the pluton. Comparison of calculated temperature estimates with one‐dimensional thermal modelling suggests that background temperatures between 300 and 350 °C existed at the time of intrusion of the Priest pluton. Fibrolite is found within 300 m of the Priest pluton in pelitic and aluminous schist metamorphosed at temperatures >580 °C. Coexisting fibrolite and garnet in pelitic schist are in oxygen isotope equilibrium, suggesting these minerals were stable reaction products during peak metamorphism. The fibrolite‐in isograd is coincident with the staurolite‐out isograd in pelitic schist, and K‐feldspar is not observed with the first occurrence of fibrolite. This suggests that the breakdown of staurolite and not the second sillimanite reaction controls fibrolite growth in staurolite‐bearing pelitic schist. Muscovite‐rich aluminous schist locally preserves the Al2SiO5 polymorph triple‐point assemblage – kyanite, andalusite and fibrolite. Andalusite and fibrolite, but not kyanite, are in isotopic equilibrium in the aluminous schist. Co‐nucleation of fibrolite and andalusite at 580 °C in the presence of muscovite and absence of K‐feldspar suggests that univariant growth of andalusite and fibrolite occurred. Kyanite growth occurred during an earlier regional metamorphic event at a temperature nearly 80 °C lower than andalusite and fibrolite growth. Quartz–muscovite fractionations in hydrothermally altered pelitic schist and quartzite are small or negative, suggesting that late isotopic exchange between externally derived fluids and muscovite, but not quartz, occurred after peak contact metamorphism and that hydrothermal alteration in pelitic schist and quartzite occurred below the closure temperature of oxygen self diffusion in quartz (<500 °C).  相似文献   

18.
Previous studies of metapelitic rocks from the core of the southernBrittany metamorphic belt suggest a complex clockwise P–Tevolution. We use pseudosections calculated for an average subaluminousmetapelite composition in the MnNCKFMASH system and averageP–T calculations to investigate in more detail the metamorphicevolution of these rocks. For migmatites, sequential occurrenceof kyanite, kyanite + staurolite and sillimanite suggests thata prograde evolution to P > 8 kbar at T  相似文献   

19.
This study examines the electron localization function (ELF) isosurfaces of the Al2SiO5 polymorphs kyanite, sillimanite, and andalusite to see how differences in coordination and geometry of the cations and anions affect the ELF isosurfaces. Examination of the ELF isosurfaces indicates that their shapes are dependent on the coordination and geometry of the oxygen atoms and are not sensitive to coordination of the surrounding cations. Of the 18 crystallographically distinct oxygen atoms in the Al2SiO5 polymorphs, 13 are bonded to two aluminum atoms and one silicon atom (Al2–O–Si) and are associated with two different ELF isosurface shapes. The shape of the ELF isosurface is dependent on the distance at which the oxygen atom lies from a plane defined by the three surrounding cations: at a distance greater than 0.2 Å the ELF can be defined as horseshoe-shaped and at a distance less then 0.2 Å it can be described as concave hemispherical. This feature is also seen in the ELF isosurfaces for the oxygens bonded to three aluminum atoms (Al3–O) where the isosurfaces can be defined as trigonally toroidal and uniaxially trigonally toroidal. The changes in the ELF isosurfaces for the three coordinated oxygens are also indicative of changes in hybridization. The ELF isosurface for the two-fold coordinated oxygen (Al–O–Si) has a large mushroom-shaped isosurface along the Al–O bond and a concave hemispherical isosurface along the Si–O. The four-fold coordinated oxygen (Al4–O) contains two concave hemispherical isosurfaces along the shorter Al–O bonds and a banana-shaped isosurface, which encompasses the longer Al–O bonds. In addition, this study shows the homeomorphic relationship between the ELF isosurfaces and electron density difference maps with respect to number and arrangement of domains.  相似文献   

20.
蓝晶石族矿物的应用研究现状和趋势   总被引：6，自引：0，他引：6  
综合评述了国内外蓝晶石族矿物资源开发应用及研究的现状，问题和趋势，并建议（１）加强应用基础研究；（２）重视超细粉的应用；（３）开展该族矿物节能效果的比较研究；（４）优先发展蓝晶石和红柱石；（５）开发高档新材料；（６）在制品生产或应用中直接制取莫来石；（７）利用空晶石结构研究区域变质作用历史。  相似文献   

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