Anorthite megacrysts are common in basalts from the Japanese Island Arc, and signally rare in other global fields. These anorthites are 1 to 3 cm in size and often contain several corroded Mg-olivine inclusions. The megacrysts generally range from An94Ab4Ot2 to An89Ab6Ot5 (Ot: other minor end-members, including CaFeSi3O8, CaMgSi3O8, AlAl3SiO8, □Si4O8) and show no chemical zoning. They often show parting. Redclouded megacrysts contain microcrystals of native copper with a distribution reminiscent of the shape of a planetary nebula. Hydrocarbons are also present, both in the anorthite megacrysts and in the olivines included within them. Implications of lateral variations in the Fe/Mg ratio of the included olivines, in Sr-content and in Sr-isotope ratio of the anorthite megacrysts with respect to the Japanese island arc, relate to mixing of crustal components and subducted slab-sediments into the basaltic magmas.

“Image analysis” refers to the general family of computational techniques which are concerned with the extracting of quantitative information from images captured in digital form. Such techniques have been in use for several years in areas such as biology and metallurgy, but have been slow to find wide use in the microscopic areas of Earth Sciences. Notable exceptions have included applications in the areas of mineral processing and sedimentary petrography.

The impetus for the meeting held jointly by the Applied Mineralogy Group of the Mineralogical Society and the Geological Information Group of the Geological Society of London in September 1993, was an attempt to take stock of the spread of digital image analysis techniques into the domain of the mineralogist and petrologist.

The albitisation of pelitic metasediments to form adinoles adjacent to minor mafic intrusions has in the past been attributed to Na-bearing metasomatizing fluids emanating from the intrusions themselves. The chemistry and mineralogy of adinoles associated with dykes forming a high-intensity swarm in the Tallaght area, County Dublin, Ireland, confirms a metasomatic origin for the adinoles described, with Na and to a lesser extent Ca introduced into the country rocks at the expense of K. We suggest, however, that the source of the metasomatizing fluids was external to the dykes — possibly involving a hydrothermal system driven by an underlying magma reservoir that was parental to the dykes and also contributed volatiles to the hydrothermal system by degassing. Heat flow from the dykes was instrumental in promoting the reaction between muscovite in the country rock pelites and the Na(Ca)-bearing fluids to form albite, temperatures of ∼350°C in the country rocks within a metre of the contact being indicated. The mechanism of adinolization proposed is shown to be compatible with recent experimental work on the hydrothermal alteration of greywackes and basalts and also with the likely temperature gradients adjacent to dykes.

Image analysis techniques are used to quantify finite strain in microconglomerates from the ‘Zone Houillère’ (Briançonnais Zone, French Alps) using the normalized Fry method. Two different techniques have been developed to extract the necessary parameters from quartz grains: the first uses an interactive videographic image analyser linked to a digitizer, and the second uses a semi-automatic image analyser algorithm working on numeric images. Comparison between these two techniques allows the data provided by the latter to be validated. Semi-automated image analysis is then employed to compute the characteristics of the finite strain ellipse as defined by the normalized Fry method. This has been tested on natural and simulated fabrics and gives accurate results. Finally, these techniques have been applied to samples from the French Alps, in an attempt to correlate the regional pattern of finite strain with deep seismic reflectors. This paper presents the preliminary results using finite strain data determined by image analysis processing.

Albitite, locally aegirine- and riebeckite-bearing, formed as a result of sodium metasomatism of felsic dykes and argillites along the Melones Fault Zone near Jamestown, California. Pyrite, magnetite, hematite and titanite are common in small amounts in altered dykes. The dykes were originally plagioclase-hornblende porphyritic, and had major and trace element abundances typical of calc-alkaline rocks, whereas they now have Na2O contents as high as 11.40%. Associated fracture-filling veins are dominated by albite, but locally include aegirine, analcime, paragonite, calcite and sodic scapolite. Quartz is present in most albitic rocks, but is absent in riebeckite- and aegirine-bearing samples. Albitization predated CO2 metasomatism and formation of sericite-pyrite assemblages that are typical of gold deposits of the Mother Lode Belt.

Alkaline fluids responsible for Na-metasomatism had elevated Na+/K+ and Na+/H+ relatively high fO2, and low aH4SiO4. The presence of titanite indicates fluid. The presence of titanite indicates fluid XCO2 was low, in contrast to fluids that formed later carbonate-bearing assemblages. Sodic scapolite suggests that, at least locally, the fluids attained very high salinities.

Mass balance calculations indicate that alteration involved addition of large amounts of sodium, and the removal of SiO2 and K2O. Textural preservation, combined with volume factors calculated from specific gravity and whole rock analytical data, indicate that Na-metasomatism was essentially isovolumetric.

Sodium-rich zones along the Melones Fault Zone are closely associated with fault-bounded bodies of ultramafic rock, typically altered to talc-carbonate or quartz-magnesite-Cr muscovite assemblages. Carbonatization and talc-forming reactions in the ultramafic rocks may lead to SiO2-undersaturated fluids. Expansion of the muscovite stability field in terms of Na+/K+-Na+/H+, as a result of incorporation of Cr (up to 7.7% Cr2O3) in muscovite, would result in H+- and K+-depletion as the fluid interacts with ultramafic rocks. This could lead to fluids with elevated Na+/K+ and high pH, as documented in this occurrence.

Hydrogen in H-feldspar obtained by ion-exchange was studied in the spectral range 1000–5500 cm−1 by single crystal IR microspectroscopy. Spectra were almost identical for H-feldspars prepared either from sanidine or from adularia. Two bands in the middle-infrared were identified by D/H exchange as OH vibration modes. One broad band with a maximum at 3000 cm−1 and shoulders at 2800, 3200 and 3500 cm−1 confirms previous work. An additional OH absorption band with a maximum at 2485 cm−1 was observed for the first time in feldspars. The pleochroism of the OH absorption bands suggests that the H-feldspar is composed of two phases, an amorphous phase and a feldspathic phase. The proportion of the amorphous phase is increased by heating, producing a shift of the maximum of the band at 3000 cm−1 towards higher wavenumber and a decrease of the intensity of the band at 2485 cm−1. Near-infrared spectroscopy showed that hydrogen is present as hydroxyl groups bound to tetrahedral cations in both phases. Molecular water was not detected. The experimental results imply that hydrogen is incorporated in the H-feldspars as protons attached to bridging oxygen as well as to non-bridging oxygen. The complex structure of the IR spectra implies that the protons are distributed over a large number of sites in the cation cavity of the feldspars.

The following six papers were presented at a meeting, held in September 1994, which reviewed some of the recent advances in the application of computational methods to mineralogy. Talks covered the developing and challenging field of ab initio quantum mechanical computations as well as new applications and insights afforded by the use and refinement of the more established methods of empirical simulation and modelling. The former attempt to solve Schrdinger's equation for the material in question, and in doing so determine the energy surface and electronic structure. The latter use parameterized interatomic potentials to describe the energy of interaction between pairs or groups of atoms, the parameters typically derived either by fitting to the results of quantum mechanical calculations of small clusters, or empirically determined from fitting to the known physical properties of crystals (e.g. to the elastic constants, structural parameters or dielectric constants). A certain rivalry and antipathy occasionally surfaces between computational theorists from either camp.

Ab initio total energy calculations based on the local density approximation (LDA) and using a conjugate-gradient solver for the Kohn-Sham equations have been performed for cordierite, brucite, (Mg(OH)2) and diaspore (AlOOH). The calculated fractional coordinates of all structures are in good agreement with experimental diffraction data. The angle of the non-linear hydrogen bond in diaspore is reproduced well. The Raman active OH stretching frequency in brucite has been calculated using the frozen phonon approach and the calculated stretching frequency is in very good agreement with the observed value. The energetically most favourable calculated orientation of the proton-proton vector of an H2O molecule incorporated in the structural channels of cordierite agrees with findings deduced from spectroscopic data, and the calculated energy of hydration is in reasonable agreement with calorimetric data. It is therefore concluded that ab initio total energy calculations can confidently be used to predict properties of hydrogen bonded structures, which is difficult with conventional parameterized static lattice energy minimization calculations. An extension to the model is necessary to improve the agreement of the predicted to the observed lattice parameters for small structures.

The rare Li-mica taeniolite is described from the Dicker Willem carbonatite complex, Namibia, and from the Alpine carbonatitic lamprophyre dyke swarm at Haast River, New Zealand. At Haast River, taeniolite occurs in sodic and ultrasodic fenites derived from quartzo-feldspathic schists and rarely in metabasites, adjacent to dykes of tinguaite, trachyte and a spectrum of carbonatites ranging from Ca- to Fe- rich types. In Namibia, taeniolite is present in potassic fenites derived from quartz-feldspathic gneisses and granitoids at the margin of an early sövite phase of the complex and in a radial sövite dyke emanating from this centre.

The occurrence of taeniolite in these totally disparate carbonatite complexes, together with examples of lithian mica from other carbonatite complexes worldwide, raises the question of the status of Li as a ‘carbonatitic element’. We argue that lithium is not a consequence of crustal assimilation or interaction, but reflects the geochemical character of the magmatic source. Li, an overlooked and little-analysed element, may be an integral part of metasomatic enrichment in the mantle, and of magmas derived by partial melting of such a source.

High-temperature Raman spectroscopy and optical microscopic observations have revealed a new metastable polymorph of CaAl2Si2O8 composition, which brings to four the number of known crystalline phases in this system. Similar to the metastable monoclinic pseudo-orthorhombic and pseudo-hexagonal phases, the new polymorph nucleates prior to anorthite, at around 1545 K, and its pseudo-liquidus temperature is 1700 ± 10 K. It can also be formed from the transformation of the pseudo-hexagonal phase at 1050 K. The actual structure of this new crystalline form is unknown, but its Raman spectrum indicates that it is most likely a 6-membered alumino-silicate framework. We have obtained all three metastable phases as pure single crystals using wire loop heating techniques, and have studied their structures via Raman spectroscopy up to their metastable melting points or transformation temperatures.

Many subjective descriptive terms such as ‘smooth’, ‘coarse’ and ‘anisotropic’ are routinely used to convey properties of textures and fabrics, but these aspects of geological objects are not easily quantifiable. The use of directional semivariograms of image greylevels is assessed for this purpose. These quantify anisotropy of ‘coarseness/fineness’ by using semivariogram ranges, and ‘roughness/smoothness’ by using semivariogram sill values. These can be summarized by ellipses derived from semivariogram ranges and directions. The method will find applications in analysis of rock thin sections as well as analysis of surface texture of grains and microfossils.

At Alijó-Sanfins there are many granitic aplite and pegmatite veins crosscutting different petrographic facies of the Hercynian granite batholith and also mica-schists. They are tin-bearing granitic rocks. Thirty-four samples of K-feldspar and 34 of albite from these veins and host granites were analysed to establish the distribution of elements and their fractionation trends in the sequence of feldspar crystallization. Rubidium and Cs increase, and Ba, Sr, Ba/K, Sr/K and K/Rb decrease in K-feldspar, whereas Na increases and Sr and Ca decrease in albite, from granites to aplites and pegmatites. In a few aplite-pegmatite veins Rb, Rb/Ba and Rb/Sr increase and Ba, Sr, K/Rb and Ba/Sr decrease in K-feldspar, and Rb increases and Sr decreases in albite from aplite to coexisting pegmatite. Equilibrium was not attained for trace elements between coexisting feldspars.

Mineralogical, geochemical and isotopic data including K-Ar age determinations are presented for one of the largely unknown, Mesozoic ultramafic (lamproitic) occurrences of the Aldan Shield. Ultramafic, ultrapotassic rocks occur as isolated pipes or as dykes in alkaline complexes as the Yakokut complex. K-Ar dating of phlogopites from different ultramafic dyke rocks of Yakokut give cooling ages of 133.3 ± 1.3 Ma. These rocks generally contain olivine, clinopyroxene, phlogopite and spinel phenocrysts. Olivines are forsterite-rich (Fo86–94) and undeformed, suggesting that they are phenocrysts. The low Ti and Al contents of clinopyroxenes are close to those of lamproites. Phlogopite cores are rich in Al2O3 and TiO2 relative to the rims with two different zonation trends caused by distinct crystallization conditions after emplacement. Spinels are Ti-bearing magnetites and Ti-Al-magnesiochromites with high Cr/(Cr+Al) ratios (> 0.9), indicating their crystallization from a lamproitic melt.

Geochemically, the rocks are ultrabasic — basic with high mg# values, low Ca, Al, Na and strong enrichments of Rb, Ba and K. Their CaO/Al2O3, Zr/Nb or Ba/Sr ratios indicate their lamproitic nature and origin in the subcontinental lithosphere of a depleted mantle source which had undergone metasomatic enrichment. As the rocks all show strong negative Nb anomalies and low Ti, Y and Yb contents, the enrichment is attributed to subduction zone fluids. The Sr-Nd-data (87Sr/86Sr0 0.70573−0.70605 ± 0.00003; ɛNd − 10.2 ± 0.7) indicate the origin by partial melting of a heterogeneous mantle source with relatively low Rb/Sr ratios and an early enrichment. The evolution model comprises a depletion of ‘basaltic elements’, leading to a harzburgitic source which was enriched by an early LREE contribution during the stabilization of the Archaean to Proterozoic Aldan Shield. It is further suggested that the Mesozoic northwesterly directed subduction of the Ochotsk-Chukotsk belt influenced the subcontinental lithosphere underneath the Aldan Shield, leading to the observed subduction-related signature of the Yakokut lamproites.

Analysis and processing of electronic images generated using confocal scanning laser microscopy (CSLM) provide a new means of counting and determining the angular distribution of fission tracks in crystalline solids. Using image analysis techniques, large numbers of fission tracks in external mica detectors can be counted rapidly, while measurement of aspect ratio and area of a track entry hole at its intersection with a surface can provide a means of assessing the angle of inclination of individual tracks within minerals and plastics. CSLM imaging, combined with image processing, offers a new and powerful way of probing the surfaces and interiors of crystalline materials. The techniques might also prove useful in the study of fluid inclusions and chemical zoning patterns in minerals.

We review some of the most recent developments in classical and quantum mechanical molecular dynamics simulations, in particular as applied to Earth-forming phases at conditions prevalent in the Earth's deep interior. We pay special attention to the modelling of high pressures and temperatures, elucidating the problems associated with both the classical and quantum approaches in view of the empirical potentials required for the former, and the limitations of finite temperature calculations for the latter. We show the current status of such calculations for major phases such as MgSiO3 perovskite.

Textural development of the felsic phases in two granodioritic rocks from the zoned Linga superunit of the Peruvian Coastal Batholith has been characterized using serial thin sectioning, image analysis and three-dimensional reconstruction. The study has shown how each mineral phase contributed to the texture during the formation and development of a contiguous crystal framework and during subsequent restriction, isolation and occlusion of the melt-filled porosity. The work highlights the important factors and potential problems in the use of serial thin sections and imaging in the analysis of complex polyphase rock textures.

A new computer code (MARVIN) has been developed for the simulation of surfaces and interfaces. The models and methodologies employed within the program are briefly discussed. One application of the code, calculating crystal morphologies, is explored using zircon, quartz and α-Al2O3 as examples. The new code enables the use of covalent type force fields and the effect of surface relaxation on the growth morphology to be calculated for the first time. It is found that relaxation does affect the attachment energy but not by a large enough amount to significantly change the growth morphology for the three examples discussed here. Finally, the calculated surface relaxation for the basal plane of α-Al2O3 is found to be in complete agreement with Hartree-Fock ab initio calculations, verifying that the potentials, which are derived from bulk properties, transfer well to this surface.

Volcanic-hosted advanced argillic alteration on Barton Peninsula comprises an assemblage of chalcedonic silica, alunite family minerals, pyrophyllite, pyrite, native sulphur, zunyite and rutile, characteristic of an acid sulphate-type epithermal system. The minerals minamiite, (Na0.36Ca0.27K0.1□0.27)Al3(SO4)2(OH)6, and zunyite, Al13Si5O20(OH,F)18Cl, are reported at this locality, and in Antarctica, for the first time. The WNW-striking, 1 km-long zone of alteration is hosted by early Tertiary andesitic rocks and contained in a 1.5 km-wide depression, rimmed by an arcuate ridge, probably representing a volcanic crater or small caldera structure.

Stability relations of minerals in the advanced argillic alteration zone indicate alteration took place under acidic conditions in the near-surface environment. Mineralogical and textural evidence also suggest alteration occurred in a magmatic hydrothermal system, possibly with a magmatic steam component, rather than in a supergene or steam-heated environment.

This paper presents a 27Al and 29Si MAS NMR study of K-feldspars and demonstrates that the spectra are sensitive to variations in the state of Al,Si order. For synthetically annealed samples, the results are in agreement with previous IR spectroscopy (Harris et al., 1989) and demonstrate that Al,Si rearrangement continues after the samples have become monoclinic as determined by powder XRD. NMR methods provide a significantly improved picture of the state of local Al,Si order in such samples. For triclinic samples, measures of the state of Al,Si order (M1 and M2 of 27Al spectra and M2 of 29Si spectra) correlate well with site occupancies determined by powder XRD, but for the monoclinic samples the NMR parameters continue to change whereas the XRD parameters do not. Interpretations based on the NMR results for the synthetically disordered samples are consistent with 1-step disordering, as observed by XRD. 27Al and 29Si MAS NMR is likely to be a useful tool for probing the state of local Al,Si order in a wide variety of natural samples.