bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ilvaite from a serpentinized peridotite in the Asama igneous complex, Mikabu greenstone belt, Sambagawa metamorphic terrain, central Japan
Authors: Agata Takashi , Adachi Mamoru 
Published: December 2006

AbstractIlvaite is sparsely disseminated in a serpentinized plagioclase wehrlite of the Asama igneous complex that underwent the Sambagawa regional metamorphism of pumpellyite-actinolite to greenschist facies. Ilvaite in the Asama complex is monoclinic (a = 13.019(5), b = 8.808(2), c = 5.850(4) Å, β = 90.19(4)°), and its composition is similar to the ideal end-member composition (). Ilvaite occurs in mats of serpentine (chrysotile); it probably formed during serpentinization, which might have accompanied the Sambagawa metamorphism. The associated secondary minerals include salitic clinopyroxene, magnetite and andradite. The ilvaite-free mineral assemblage that formed during the serpentinization is usually serpentine-clinopyroxene-magnetite, which is widespread in the complex. The phase relations between coexisting minerals suggest that the conditions during the formation of the ilvaite-bearing assemblage were reducing when compared to those of the assemblage serpentine-clinopyroxene-magnetite. The reducing conditions during the ilvaite formation were presumably brought about by hydrogen gas that1 was generated during the serpentinization of olivine.
Takedaite, a new mineral from Fuka, Okayama Prefecture, Japan
Authors: Kusachi I. , Henmi C. , Kobayashi S. 
Published: December 2006

AbstractTakedaite, Ca3B2O6, has been found in crystalline limestone near gehlenite−spurrite skarns at Fuka, Okayama Prefecture. It occurs as aggregates of granular crystals up to 0.8 mm long and 0.3 mm wide. The mineral is associated with nifontovite, olshanskyite, pentahydroborite, frolovite, sibirskite, calcite and an unidentified mineral, is white or pale gray, and has a vitreous luster. Takedaite is trigonal with space group ofRc,a= 8.638(1),c= 11.850(2)Å, Z = 6. The strongest lines in the X-ray powder pattern [din A(I)(hkl)] are 2.915(100)(113), 1.895(75)(223), 2.756(61)(104), 2.493(44)(300), 2.044(21) (214,131), 2.160(19)(220), 1.976(18)(006), 1.549(12)(306). The Vickers microhardness is 478 kg mm−2and the Mohs hardness 4.5. The density is 3.10(2) g cm−3(meas.) and 3.11 g cm−3(calc.). Wet chemical analyses give the values CaO 71.13%, B2O328.41%, ig. loss 0.14%, and total 99.68%. The empirical formula calculated on the basis of O = 6 is Ca3.053B1.965O6, with the simplified formula of Ca3B2O6.
Ab initio total energy studies of minerals using density functional theory and the local density approximation
Authors: Winkler Björn , Milman Victor , Payne Michael C. 
Published: December 2006

AbstractAb 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.
Sb-rich titanite in the manganese concentrations at St. Marcel-Praborna, Aosta Valley, Italy: petrography and crystal-chemistry
Authors: Perseil Elena-Adriana , Smith David C. 
Published: December 2006

AbstractTitanites rich in antimony (up to 12.59 wt.% Sb2O5; equal to 0.165 Sb5+ per Si4+ = 1.000) arc described for the first time. They coexist with various greenschist-facies minerals in three different petrographical environments in the manganese concentrations at St. Marcel-Praborna in the Aosta Valley, Italy. These titanites are chemically zoned, the Sb-richest parts generally occurring alongside grain boundaries, microfractures, pores or inclusions. Moderately-good positive correlations exist between the Sb, Al and Fe contents, with negative correlations of each of these elements with Ti. Cr has perturbed the Al and Fe contents since a better negative correlation with Ti is obtained with [Al + Cr + Mn + Fe]. The Sr, Ba, Mn and F contents are rather small and vary irregularly. Several crystal-chemical hypotheses are presented concerning the method of structural formula calculation and the valencies and site distributions of Sb and the companion additional minor elements. The favoured interpretation is to place: Sr2+, Ba2+, Mn2+, Fe2+ and possibly also Sb3+ in the viiCa2+ site; Sb5+, Cr3+, Al3+, Sb3+, Fe3+ and possibly also Mn3+ in the viTi4+ site; and Al3+ in the ivSi4+ site; this indicates the existence of a natural silicate containing not only both trivalent and pentavalent Sb, but also both valencies in the same site. The principal ionic substitution is believed to be: 2 viTi4+ = vi[Al3+ + Cr3+ + Mn3+ + Fe3+] + viSb5+ accompanied by a substantial minor proportion of: 2 viTi4+ = viSb3+ + viSb5, or possibly = 2 viSb4+ The data indicate a very late stage penetration of pre-existing titanites by mobilized Sb, Al, Cr, Mn, Fe, F and presumably also (OH) at this locality, whereas Sr and Ba were mobile at an earlier stage. Manganese, which existed in the sedimentary protoliths, did not enter the titanite structure in very significant quantities.
An infrared spectroscopic study of hydrogen feldspar (HA1Si3O8)
Authors: Behrens H. , Müller G. 
Published: December 2006

AbstractHydrogen 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.
An in-situ high-temperature structural study of stable and metastable CaAl2Si2O8 polymorphs
Authors: Daniel I. , Gillet P. , McMillan P. F. , Richet P. 
Published: December 2006

AbstractHigh-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.
Investigation of Al,Si order in K-feldspars using 27Al and 29Si MAS NMR
Authors: Xiao Yuehui , James Kirkpatrick R. , Hay Richard L. , Kim Youn Joong , Phillips Brian L. 
Published: December 2006

AbstractThis 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.
Exsolution and alteration microtextures in alkali feldspar phenocrysts from the Shap granite
Authors: Lee Martin R. , Waldron Kim A. , Parsons Ian 
Published: December 2006

AbstractAlkali feldspar phenocrysts (bulk composition Or75.0Ab24.6An0.4) in the subsolvus Shap granite comprise a fine-scale mixture of subregular pristine crypto- and micro-perthites with altered, micropore-rich feldspar with irregular microstructures. The regular perthites are strain-controlled intergrowths of Albite and/or Periclinetwinned albite exsolution lamellae within tweed orthoclase. The microperthites formed at ⩽ 590°C by heterogeneous nucleation of thin albite films which coarsened to > 1 µm length. Cryptoperthites developed at < 400°C by homogeneous nucleation of sub-µm long platelets between films. Platelets are coherent, but the coarser microperthite lamellae are semi-coherent, with pairs of misfit dislocations sub-regularly spaced along the albite-orthoclase interface. As much as 30% of any one feldspar crystal is turbid, a result of the formation of numerous µm to sub-µm sized micropores during deuteric alteration. In some areas, deuteric fluids gained access to the interior of feldspar crystals by exploiting semi-coherent film lamellae. Albite was selectively dissolved and micropore-rich irregular microcline was reprecipitated in its place. In other parts of the feldspars deuteric recrystallization completely cross-cuts the pristine microtextures and patch perthites have formed. These are coarse, incoherent to semi-coherent intergrowths of irregular microcline (replacing tweed orthoclase) and Albite-twinned albite. The deuteric reactions occurred at < 400°C; the main driving force for dissolution and reprecipitation was decrease in the elastic strain energy at the coherent interfaces of crypto-and micro-perthite lamellae, and the recrystallization of tweed orthoclase to irregular microcline.
Significance of ultrahigh-P talc-bearing eclogitic assemblages
Authors: Liou J. G. , Zhang R. Y. 
Published: December 2006

AbstractTalc was identified as an equilibrium associate of omphacite, kyanite, zoisite, and garnet in some coesitebearing eclogites and as a retrograde phase in associated garnet peridotite from the Bixiling mafic-ultramafic complex in the Dabie ultrahigh-P metamorphic terrane, central China. Observed talc- and tremolite-bearing assemblages within the coexisting mafic and ultramafic rocks together with established phase relations for the simple system CaO-MgO-Al2O3-SiO2-H2O constrain the P-T path for retrograde metamorphism. This, together with reported talc occurrences from the Dora Maira massif, leads to the conclusion that UHP talc assemblages are confined to mafic and pelitic rocks of unusual chemistry, and are not stable at ultrahigh pressures in ultramafic rocks. Thus, talc cannot be an important H2O-bearing phase in deep mantle ultramafic rocks.
Nanometre scale textures in agate and Beltane opal
Authors: Lu Taijing , Zhang X. , Sunagawa Ichiro , Groves G. W. 
Published: December 2006

AbstractWe have carried out TEM observations of agates of geode origin and Beltane opals. Optically observable individual fibres in agates are composed of many fine fibres which consist of quartz crystallites of 8 to 100 nm in length stacked together parallel to <110> or <100> with c-axes perpendicular to the fibre elongation. The optically observable systematic striations in agate are found to consist of cyclic alternation of layers due to variation in grain size and porosity. Large quartz crystals, protruding into the spaces of geodes, represent the last stage of formation of these bands, and are merely a continuation of the banding sequence. Nanometre scale textures of cristobalite fibres were revealed in Beltane opals. The cristobalite crystallites have the size of 3 to 20 nm in length and are also stacked together. Our TEM results suggest that embryonic particles were formed in their corresponding growth environments and agglutinated to form fibres.
Relationship between the crystallographic orientation and the ‘alexandrite effect’ in synthetic alexandrite
Authors: Liu Yan , Shigley James E. , Fritsch Emmanuel , Hemphill Scott 
Published: December 2006

AbstractThe transmittance spectra of a synthetic alexandrite recorded along directions parallel to the three crystallographic axes are generally similar, but the observed colour changes along these directions under different light sources are quite different. Calculated hue-angle changes for the colours observed under different pairs of C.I.E. standard illuminants are the largest for light travelling parallel to the a-axis. Therefore, alexandrite should be cut as a gemstone with the top facet oriented parallel to (100) for it to show the most dramatic change in colour.
Morimotoite, Ca3TiFe2+Si3O12, a new titanian garnet from Fuka, Okayama Prefecture, Japan
Authors: Henmi Chiyoko , Kusachi Isao , Henmi Kitinosuke 
Published: December 2006

AbstractMorimotoite, Ca3TiFe2+Si3O12, has been found in contaminated rocks which are considered to be a kind of endoskarn at Fuka, Bitchu-Cho, Okayama Prefecture, Japan. Morimotoite is derived from andradite, , by the substitution Ti + Fe2+ = 2Fe3+. It is associated with calcite, vesuvianite, grossular, wollastonite, hematite, prehnite, fluorapatite, perovskite, zircon, baddeleyite and calzirtite. It is cubic with space group Ia3d. The unit cell dimension a is 12.162(3) Å. Its refractive index n is 1.995(2) and the density 3.75(2) g cm−3 (meas.), 3.80 g cm−3 (calc.). The Mohs' hardness is 7.5. Calculation of the analytical data on the basis of twelve oxygen atoms and eight cations shows that this mineral has a simplified chemical formula Ca3(Ti,Fe2+Fe3+)2(Si,Fe3+)3O12 where Ti > Fe2+ > 0.5. Morimotoite was synthesized at low oxygen fugacities, 650 and 700°C and 1 kbar total pressure.
The Shiant Isles Main Sill: structure and mineral fractionation trends
Authors: Gibb F. G. F. , Henderson C. M. B. 
Published: December 2006

AbstractThe Shiant Isles Main Sill, of Tertiary age, is a classic example of a composite, differentiated alkaline basic sill. The first unit to be intruded was a 2 m thick olivine teschenite which was emplaced with phenocrysts of olivine (mg > 83) [mg ≡ Mg#] and, perhaps, plagioclase. This was intruded by a 24 m thick picrite sill consisting of a mush of melt and suspended olivine phenocrysts (mg > 83) with a D-shaped modal profile. The 140 m thick picrodolerite-crinanite unit was formed by a magma carrying ∼ 10% olivine (mg > 83) as the main phenocryst phase, together with some calcic plagioclase phenocrysts, being emplaced into the top of the picrite unit before the host rock was completely solidified. The olivine phenocrysts settled towards the bottom to form the picrodolerites. In-situ differentiation processes occurred under conditions of almost perfect fractional crystallization, during which very strongly zoned ophitic crystals of olivine (fayalitic rims) and clinopyroxene (hedenbergitic rims), and zoned laths of plagioclase (anorthoclase rims), formed. The last unit consists of ∼ 2 m of granular olivine picrodolerite which was intruded into the upper crinanites, again before the host rock was fully solid.The mineral zoning patterns are interpreted using published cation diffusion coefficient data, and used to show that the picrite unit might have cooled to the blocking temperatures for Mg and Fe diffusion in < 5 years, and that even the relatively thick crinanite unit cooled very fast, so preserving the zoned Fe-Mg olivine and pyroxene compositions. The compositions of coexisting ilmenites and spinels define a redox trend which initially lies close to fayalite-magnetite-quartz buffer conditions, but later becomes more reducing and approaches magnetite-wustite buffer conditions. The final stages of development occurred during sub-solidus deuteric processes and involved formation of analcime and zeolites, as well as localized sulphide mineralization.
Compositional cyclicity in a pyroxenitic layer from the Main Zone of the Western Bushveld Complex: evidence for repeated magma influx
Authors: Mitchell Andrew A. 
Published: December 2006

AbstractLacking the pronounced modal layering of the underlying Critical Zone, the Main Zone of the Bushveld Complex nevertheless displays well-developed cryptic layering, expressed in a series of iron-enrichment trends, each defining a unit of the order of 100 to 200 m thick. At the base of one such unit, 1100 m above the Main Zone — Critical Zone contact, a 10 m thick pyroxenitic layer was intersected in an exploration borehole from the southern sector of the western Bushveld.Within the pyroxenitic layer, mineral chemistry defines a series of five cycles of upward Mg and Cr enrichment in pyroxenes, and Ca enrichment in plagioclase. The mineral chemistry, supported by textural evidence, suggests the influx of successive surges of magma. Sustained streaming of magma gave rise to adcumulate textures in the central portion of each cycle, with orthocumulate textures at bases and tops of cycles representing waxing and waning stages of magma surges.
Fluorine in igneous rocks and minerals with emphasis on ultrapotassic mafic and ultramafic magmas and their mantle source regions
Authors: Edgar A. D. , Pizzolato L. A. , Sheen J. 
Published: December 2006

AbstractIn reviewing the distribution of fluorine in igneous rocks it is clear that F abundance is related to alkalinity and to some extent to volatile contents. Two important F-bearing series are recognized: (1) the alkali basalt—ultrapotassic rocks in which F increases with increasing K2O and decreasing SiO2 contents; and (2) the alkali basalt—phonolite—rhyolite series with F showing positive correlation with both total alkalis and SiO2. Detailed studies of series (1) show that F abundance in ultrapotassic magmas (lamproite, kamafugite, lamprophyre) occurs in descending order in the sequence phlogopite>apatite>amphibole>glass. Fluorine contents in the same minerals from fresh and altered mantle xenoliths may be several orders of magnitude less than those in the host kamafugite. For many lamproites, F contents correlate with higher mg# suggesting that F is highest in the more primitive magmas.Experiments at mantle conditions (20 kbar, 900–1400°C) on simplified F-bearing mineral systems containing phlogopite, apatite, K-richterite, and melt show that F is generally a compatible element. Additionally, low F abundance in minerals from mantle xenoliths suggests that F may not be available in mantle source regions and hence is unlikely to partition into the melt phase on partial melting. Melting experiments on the compositions of F-free and F-bearing model phlogopite harzburgite indicate that even small variations in F content produce melts similar in composition to those of lamproite.
Bromine geochemistry of british groundwaters
Authors: Edmunds W. M. 
Published: December 2006

AbstractThe concentrations of Br in potable groundwaters in the United Kingdom range from 60 to 340 µg 1-1. The occurrence of Br is described in terms of the Br/Cl weight ratio which enables small changes in bromide concentrations to be assessed in terms of salinity. Median values of Br/Cl in groundwaters range from 2.60 to 5.15 × 10−3 compared with a sea water ratio of 3.47× 10−3. In recent shallow groundwaters the Br/Cl ratio is rather variable in response to a range of natural and anthropogenic inputs (marine and industrial aerosols, industrial and agricultural chemicals including road salt). Some slight enrichment in Br/Cl also occurs naturally during infiltration as a result of biogeochemical processes.Evolution of Br/Cl along groundwater flow lines reflects the sources of increasing salinity; either the influence of marine sedimentary formations or evaporites. The groundwaters in the Triassic sandstones of the English Midlands show significant Br depletion due to the evaporite source, in contrast to groundwaters in Cumbria. Br/Cl ratios in the Sherwood Sandstone of the East Midlands mainly reflect the natural input sources and can be used to help understand the palaeohydrology.
Variations in F and Cl contents in apatites from magnetite—apatite ores in northern chile, and their ore-genetic implications
Authors: Treloar Peter J. , Colley Howard 
Published: December 2006

AbstractMagnetite—apatite deposits associated with the Atacama Fault Zone of northern Chile are interpreted here, on field criteria, as being the products either of hydrothermal fluids with a strong magmatic signature, or of late-stage Fe-rich magmas mixed with an aqueous fluid. Even in the Chilean iron belt, apatite-rich magnetite deposits are a rarity. Variations in F- and Cl- contents in apatites, strongly zoned with respect to halogens, are indicative of primary variations in fHF and fHCI in the hydrothermal fluids. Small variations in halogen fugacities in the aqueous fluid are capable of buffering large variations in halogen content within apatite crystals in equilibrium with that fluid. The recorded halogen zonation profiles are inconsistent with crystallization of the apatites simply from a volatile-rich, late-stage fractionation Fe-rich magma, or its derived magmatic vapour. It is more likely that they are the result of mineral—fluid buffering with a fluid that represents the mixing of a magmatically-derived aqueous fluid with a meteoric fluid that has variably scavenged Ca and Cl from within the country rocks. The source magma of the former is probably an Fe-P enriched acidic magma, derived by fractionation of primary calc-alkaline basic magmas.