bluuebunny/crossref_metadata_2025_split huggingface dataset:
Wupatkiite from the Cameron Uranium District, Arizona, a new member of the halotrichite group
Authors: Williams Sidney A. , Cesbron Fabien P. 
Published: December 2006

AbstractWupatkiite (Co,Mg,Ni)Al2(SO4)4.22H2O is a new member of the halotrichite group. It occurs 8 miles ESE of Gray Mountain, Arizona, near the prehistoric pueblo dwelling Wupatki. It occurs as cross-fibre veinlets with fibres up to 8mm long. Colour: empire rose (RHS48C), streak white, H. = 1 ½. G = 1.92, D(calc) = 1.87g/cm3. Nonpleochroic with α = 1.477, γ = 1.484, Z^fibre axis = 12°. Wet chemistry gave MgO 1.63, CaO 0.10, MnO 0.17, FeO 0.15, NiO 0.52, CuO 0.12, CoO 3.41, Al2O3 11.30, SO3 35.97, H2O 42.26 (total 95.63%); rem. = montmorillonite and quartz. Parameters refinedo from the powder pattern are close to those of halotrichite. Wupatkiite is monoclinic P21/c with a = 6.189 Å, b = 24.23 Å, c = 21.20 Å, β = 100.33°. Strongest lines are 4.790, 100 (024); 4.295, 27 (140); 3.945, 26 (025); 3.768, 33 (062); 3.494, 92 (124, 063).
Molecular dynamics: some recent developments in classical and quantum mechanical simulation of minerals
Authors: Vočadlo Lidunka , Patel Atul , Price Geoffrey D. 
Published: December 2006

AbstractWe 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.
Modelling the morphology of minerals by computer
Authors: Rohl A. L. , Gay D. H. 
Published: December 2006

AbstractA 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.
Deriving empirical potentials for molecular ionic materials
Authors: Jackson R. A. , Meenan P. A. , Price G. D. , Roberts K. J. , Telfer G. B. , Wilde P. J. 
Published: December 2006

AbstractThe procedure for deriving interatomic potentials for molecular ionic materials, using empirical fitting procedures, is described. Potentials are obtained for carbonates, phosphates and perchlorates, and used to calculate crystal and lattice properties which are compared with available experimental data.
Microstructures and mineral chemistry in amphibolites from the western Tauern Window (Eastern Alps), and P-T deformation paths of the Alpine greenschist-amphibolite facies metamorphism
Authors: Schulz Bernhard , Triboulet Claude , Audren Claude 
Published: December 2006

AbstractAmphibolites in the Mesozoic part of the parautochthonous Lower Schieferhülle (LSH), the allochthonous Upper Schieferhülle (USH) and the overlying Austroalpine basement (AA) in and around the western Tauern Window (Eastern Alps) suffered a progressive Alpine deformation. Lineations and foliations L1-S1, L2-S2 defined by preferentially oriented (Na-Ca) amphiboles as well as F3 folds and further foliations Smyl and S4 in the metabasites are structures of successive deformational stages with a constant W-E main extension axis of strain. The (Na-Ca) amphiboles in assemblages with epidote, chlorite, albite/oligoclase and quartz are zoned with similar continuous zonation trends from early actinolite in the cores to magnesio-hornblende and tschermakitic hornblende, and from magnesio-hornblende to late actinolite in the rims in the three lithostratigraphic units. Geothermobarometry involving tremolite-edenite and (pargasite-hastingsite)-tremolite end-member equilibria in amphiboles allowed us to reconstruct prograde-retrograde P-T paths for the Alpine greenschist-amphibolite facies event. The paths passed P/Tmax at 6–7 kbar/600°C. Similar shapes of the paths in AA, USH and Mesozoic LSH indicate a common metamorphic history and a stacking of these units prior to or during the pre-Pmax evolution. Moderate P-T ratios are characteristic for the temperature-dominated compression paths and indicate continental collisional rather than subduction zone metamorphism. The middle to late Alpine greenschist-amphibolite facies event appears as an independent metamorphism along a complete P-T loop which may have followed an earlier and poorly documented high-pressure/low-temperature event.
Megacrysts and ultramafic xenoliths from Kundelungu kimberlites (Shaba, Zaire)
Authors: Kampata M. D. , Moreau J. , Hertogen J. , Demaiffe D. , Condliffe E. , Mvuemba N. F. 
Published: December 2006

AbstractSome twenty kimberlite pipes outcrop along the eastern and western borders of the Kundelungu plateau, Shaba Province, Zaire. They are arranged roughly along two north-south trending alignments. The pipes probably intruded the Bangweulu Block, which stabilized around 1800 Ma. The exceptionally fresh kimberlites contain mantle-derived nodules (peridotites and eclogites), as well as megacrysts which may reach up to several cm in diameter. The most important megacrysts are garnets, ilmenites, clinopyroxenes, orthopyroxenes and olivines. Micas and diamonds are rarely observed. The clinopyroxenes can be subdivided in two groups: (1) a Ca-rich, low-T type, similar to the Cr-rich diopsides found in ‘depleted’ (granular) peridotites; and (2) subcalcic clinopyroxene comparable to the megacrysts and to the clinopyroxenes of ‘fertile’ (sheared) peridotites. The orthopyroxenes are less frequent and are Ca-poor enstatites (0.07–0.42 wt.% CaO) and Ti-bronzites (CaO <1.3 wt.%). All the analysed garnets are Ca-rich (>4.5 wt.% CaO) and all fall in the lherzolite field defined by Sobolev et al., 1973. The low-Ca garnets which appear in many diamond-bearing kimberlites have never been observed in Zaire, neither in the diamond-poor Kundelungu pipes nor in the diamond-rich Mbuji-Mayi pipes. The ilmenites define a trend close to the ‘magmatic Mg-enrichment trend';. The olivine macrocrysts have Fo contents comparable to those of peridotites (Fo90–93). The ultramafic nodules comprise lherzolites, harzburgites, pyroxenites, wehrlites and dunites. The granular textures and P-T equilibrium conditions (770–1380°C and 28–61 kbar) deduced from their mineral compositions, show clearly that they were derived from a mantle zone on the continental geotherm (90–190 km depth). The eclogite nodules, which are less frequent, contain only two mineral phases (pyrope-almandine-grossular and omphacite), and the texture and the mineral compositions are similar to those of Roberts Victor eclogites. Our findings support the conclusion of Nixon and Condliffe (1989) that low-T peridotites, eclogites and pyroxenites derived from ‘depleted’ lithosphere, while Cr-poor garnet, subcalcic diopside and bronzite megacrysts cristallized from fertile asthenosphere.
Magnetic hausmannite from hydrothermally altered manganese ore in the Palaeoproterozoic Kalahari manganese deposit, Transvaal Supergroup, South Africa
Authors: Gutzmmer J. , Beukes N. J. , Kleyenstuber A. S. E. , Burger A. M. 
Published: December 2006

AbstractHausmannite (Mn3O4), a manganese oxide with a tetragonally distorted spinel structure, is considered to be ferrimagnetic with a very low Curie temperature of 42.5 K. However, strongly magnetic hausmannite has been discovered in some of the hydrothermally altered high-grade manganese ores of the giant Kalahari manganese deposit in South Africa. EDS-electron microprobe analyses indicate magnetic hausmannite to contain on average between 3 and 11.3 wt.% Fe2O3. In contrast non-magnetic hausmannite contains on average about 1–3 wt.% Fe2O3. X-ray powder diffraction analyses reveal small changes in cell dimensions of the magnetic hausmannite related to the high iron content. Mössbauer spectroscopy suggests that all iron is in the trivalent state. Optical microscopy and scanning electron microscopy (electron back-scatter imaging) proved the magnetic hausmannite to be homogeneous in composition, containing only a few minute inclusions of hematite. Magnetic blocking temperatures of the iron-rich hausmannite, approximating the Curie temperature, are of the order of 750 K. It is suggested that the ferrimagnetic state of hausmannite is stabilized and enhanced by replacement of Mn3+ by Fe3+.
Chlorites in a spectrum of igneous rocks: mineral chemistry and paragenesis
Authors: Abdel-Rahman Abdel-Fattah M. 
Published: December 2006

AbstractThe chlorite data presented are from four igneous complexes covering the compositional spectrum of igneous rocks (gabbro to granite) of orogenic and anorogenic settings. The four igneous complexes are; early orogenic gabbro-diorite-tonalite (D-T) suite, late orogenic granodiorite-adamellite (G-A) suite (both are calc-alkaline suites), high-alumina trondhjemite (TR), and anorogenic peralkaline granite (PGR).Chlorites in these igneous rocks show characteristic compositional fields. The Mg vs Fe plot provides the best discriminant, as data points define three compositionally different groups. Phases in the PGR are Fe-rich, siliceous, interlayered chlorite-smectite (Fe/Mg = 8.6), and differ significantly from those in the calc-alkaline D-T and G-A rocks which are Mg-rich chlorites (Fe/Mg = 0.6–0.8). The X-ray diffraction data for the peralkaline granite samples show superlattice reflections at approximately 31 Å (air-dried) and 34 Å (ethylene glycollated), thus suggesting the presence of an expandable (smectite-like) component in this interlayered (chlorite-smectite) phyllosilicate phase. Chlorites in the peraluminous TR rocks contain Fe/Mg values intermediate between the other two types (Fe/Mg = 1.3). Tetrahedral Al (AlZ) values are remarkably low (0–0.5) in phyllosilicates in the PGR, but vary from 1.9–2.5 in chlorites from the other suites. Yet, these chlorite groups with their generally low AlZ values are distinct from the more stable (type IIb) metamorphic chlorites. Sedimentary chlorites are somewhat similar, in their low AlZ values and metastable structural type, to chlorites in igneous rocks.In the calc-alkaline rocks, chlorite may have been formed at the expense of both biotite [biotite + 3M + 3H2O = chlorite + A], and calcic amphibole [2 Ca-amphibole + 6H2O + 5O2 + 1.8Al = 1 chlorite + 8SiO2 + A], where M = Fe, Mg, Al, and A = K, Na, Ca. The alteration of alkali amphibole in the peralkaline rocks may have produced interlayered chlorite-smectite via this reaction; [1 Na-amphibole + 7H2O + 2.5O2 + M = 1 chlorite-smectite + A]. The presence of such interlayered chlorite-smectite which typically form at low T (150–200°C) suggests that the region was not affected by any major reheating events, which is consistent with the nature of the feldspars.
The crystal structure and chemistry of high-aluminium phlogopite
Authors: Alietti Elisa , Brigatti Maria Franca , Poppi Luciano 
Published: December 2006

AbstractCrystal structure refinements were performed on five Al-rich phlogopite-1M crystals (1.50 ⩽ Al3+ ⩽ 1.97 atoms per formula unit) from skarns of the Predazzo and Monzoni Hills petrographic area (north-east Italy) with the aim of characterizing geometrical variation produced by Al3+ increase. The charge imbalance was mostly compensated for by substitutions of highly charged cations in the octahedral sheet (Al3+ and/or Fe3+ for Mg2+). The refinements were carried out in the mean space group C2/m and gave agreement values (R) between 0.025 and 0.030. For some additional crystals, only chemistry and/or unit cell parameters were determined. In all samples the tetrahedra are more regular and larger than those previously reported in the literature for phlogopite crystals and the misfit between tetrahedral and octahedral sheets, produced by the increase in the tetrahedral edges, is mostly compensated for by the tetrahedral ring angle rotation α (10.2 °⩽ α ⩽ 12.5°), whereas the octahedral sheet features seem affected only by local crystal-chemical variations.
Crystallization from stratified magmas in the Honningsvåg Intrusive Suite, northern norway: a reappraisal
Authors: Tegner Christian , Robins Brian , Sørensen Henning S. 
Published: December 2006

AbstractWedge-shaped layers of ultramafic and mafic cumulates in Intrusion II of the Caledonian Honningsvåg Intrusive Suite suggest crystallization on an inclined magma chamber floor from a compositionally-zoned and density-stratified magma.Cyclic unit 8 (140–100 m thick) consists of a distally-thinning olivine gabbro (denoted paoC) macrolayer overlain by a distally-thickening gabbronorite, pahC. New mineral data in four traverses across cyclic unit 8 show systematic compositional changes; the Mg# of the mafic phases decreases upwards through the unit and distally, both along the base and along the paoC/pahC interface.A crystallization model based on an effectively continuously-zoned magma chamber with numerous, relatively thin, double-diffusive magma layers is proposed. Differential migration of horizontal isopleths (e.g. Mg# and aSiO2) in response to fractional crystallization and assimilation of country rock can explain the variations in the Mg# of the cumulates.
Compositional convection caused by olivine crystallization in a synthetic basalt melt
Authors: Seedhouse Jon K. , Donaldson Colin H. 
Published: December 2006

AbstractCompositional convection in magma chambers is thought to be an important process in the fractionation of liquid from crystals during the differentiation of magmas. It has been tested for in this study by undertaking isothermal crystal growth experiments in a silicate melt at atmospheric pressure in air. The melt used is a synthetic basalt in which iron is replaced by cobalt to minimise redox problems. Co-Mg olivine rims were overgrown on forsteritic olivine seeds cemented to the floor of a 2.4 cm deep alumina crucible. Following quenching and sectioning, glasses were examined optically for colour variations and by EPMA for compositional variations. It had been expected that the colour intensity of the blue glass would diminish in the Co-depleted zone that develops around crystal overgrowths, whereas in fact little difference is normally found, except for a slight fading of colour in glass above the apex of a seed in a few experiments. By contrast EPMA revealed zones up to 50 μm wide around seeds that are depleted in Co and Mg by up to 25 % at the crystal-glass interface and in patches above some crystals. Contour maps of X-ray count-rate data obtained in grids of analytical points show Co- and Mg-depleted glass around the overgrowths and in patches above the highest point of each seed, demonstrating that convection in the melt does occur during growth of individual crystals. As the experiments were carried out in a stable temperature gradient and the crystal seeds had no contact with the melt meniscus, thermal and surface-tensional convection are both eliminated, and the convection is inferred to be caused by a density difference resulting from compositional variation across the chemical boundary layer around a growing crystal. The density difference between the inside and outside of a boundary layer is calculated to be approximately −1%.
Re-evaluation of magma compositions and processes in the uppermost Critical Zone of the Bushveld Complex
Authors: Grant Cawthorn R. 
Published: December 2006

AbstractA detailed geochemical study is presented of the uppermost Critical Zone, especially of the footwall and hanging wall to the Merensky Reef, at Impala Platinum Mines in the Bushveld Complex. The approximately 100 m-thick sequence below the Merensky Reef consists of 13 distinct layers which have sharp boundaries. They are adcumulates with varying proportions of cumulus plagioclase, orthopyroxene and chromite.Experimental studies on the composition of coexisting orthopyroxene liquid indicate that the magma which produced this sequence contained between 4 and 6% MgO. The magma from which the Merensky Reef formed was more evolved than the footwall magma.Significant variations exist for both the En content of orthopyroxene and mg# number of whole-rock analyses in short vertical sections. Pyroxenite and norite always have higher values than anorthosite. Extremely sharp breaks in these values correlate with changes in modal proportions, and argue against both significant fractionation within the studied interval, and infiltration metasomatism. Quantitative modelling shows that the entire footwall section could have contained pyroxene with a uniform primary composition of En82, and that all the variation now observed reflects the effect of reaction with trapped magma.Two independent methods for determining the proportion of trapped liquid are presented, based on mg# number and incompatible element abundances. Both yield a uniform proportion in all samples of approximately 10%. Immiscible sulphide liquid from the Merensky Reef can be shown to have infiltrated downwards for <5 m, despite its high density contrast with silicate magma, very low viscosity and low crystallization temperature. Residual silicate magma would have had even more restricted mobility. The migration of residual liquid or fluid through pothole structures in the floor of the Merensky Reef is not supported by the present data.
Melt-Peridotite Interactions in Shallow Mantle at the East Pacific Rise: Evidence from ODP Site 895 (Hess Deep)
Authors: Edwards Stephen J. , Malpas John 
Published: December 2006

AbstractOcean Drilling Program (ODP) Leg 147 recently drilled at Site 895 in Hess Deep (eastern Equatorial Pacific), where a structurally dissected section of the East Pacific Rise (EPR) is preserved, and intersected the mantle-crust transition zone of a fast-spreading centre for the first time. The core from Hole 895D (latitude 2°16.635′N, longitude 101°26.777′W) revealed that harzburgite is predominant over dunite in the top section of the Hole, but the reverse relationship is found lower in the section where dunite is closely associated with gabbroic rocks (gabbro and troctolite). Texture, mineralogy and mineral chemistry suggest a two-stage evolution for harzburgite preserved at the transition zone. Harzburgite with a porphyroclastic texture was produced by partial melting of peridotite to, or beyond the clinopyroxene-out phase boundary before or during asthenospheric (>1000°C) flow, which suggests a higher degree of mantle melting than normally expected below mid-ocean ridges. Subsequently, basaltic melt(s) interacted with this refractory harzburgite (olivine + orthopyroxene + spinel), which resulted in dissolution of orthopyroxene, re-equilibration and formation of olivine and spinel, and formation of clinopyroxene ± plagioclase, this is manifested as a progressive conversion of harzburgite to gabbroic rock through an intermediate dunite. At low melt/peridotite ratios, harzburgite was refertilised as the plagioclase component of the melt completely reacted with the peridotite matrix to produce clinopyroxene-spinel intergrowths and Al enrichment in ferromagnesian minerals. At high ratios, orthopyroxene completely dissolved incongruently, plagioclase appeared, and spinel was partially to completely resorbed; this produced olivine-bearing and olivine-free gabbroic rocks. Residual minerals in peridotites adjacent to gabbroic zones were enriched in Fe and Ti and depleted in Al.
Metasomatism in the North Qôroq centre, South Greenland: apatite chemistry and rare-earth element transport
Authors: Rae David A. , Coulson Ian M. , Chambers Andrew D. 
Published: December 2006

AbstractThe North Qôroq syenite centre forms part of the Gardar Province of South Greenland. Extensive metasomatism, associated with the evolution of syenitic magmas, has resulted in redistribution of the rare-earth elements (REE), originally concentrated by magmatic processes, in both the syenites and surrounding granite-gneiss and quartzite country rocks. An important host for REE is apatite which can occur in significant quantities. Metasomatic apatites show complex, concentric, but irregular patterns of zonation, clearly seen using CL and BSE imaging. This zonation is related to successive pulses of metasomatising fluids. Electron microprobe analysis confirms the presence of significant quantities of REE in the apatites. The dominant cation exchange mechanism proposed is Ca2+ + P5+ ⇌ REE3+ + Si4+. In contrast to apatites from the nearby Ilímaussaq intrusion, there is no significant Na present in the structure and exchange reactions involving Na+ and REE3+ for Ca2+ have not occurred.Apatites from the quartzite are fluor-apatites, while those from the granite-gneiss are more Cl-rich. These differences reflect the fact that granite-gneiss apatites are original and modified by metasomatism, whereas, those in the quartzite are metasomatic in origin. REE were probably transported as carbonate, fluoride or fluor-carbonate complexes, and reflect the activity of a F−-rich, CO2−3-rich fluid phase.
Geochemistry of late Caledonian minettes from Northern Britain: implications for the Caledonian sub-continental lithospheric mantle
Authors: Canning Jason C. , Henney P. J. , Morrison M. A. , Gaskarth J. W. 
Published: December 2006

AbstractThe geochemistry of late Caledonian minettes from across the orogenic belt is compared in order to constrain the composition of the Caledonian sub-continental lithospheric mantle (SCLM). All the minettes are similar petrographically and chemically and several samples have characteristics typical of near primary mantle melts. Samples from the Northern Highlands and the Caledonian foreland show enrichment in many trace elements (notably LILE and LREE) relative to those from the Grampians, the Southern Uplands and northern England, coupled with distinct Nd and Sr isotope characteristics. Processes such as fractional crystallization, crustal assimilation, and partial melting played a negligible role in creating the differences between the two groups which reflect long-term, time-integrated differences in the compositions of their SCLM sources. The Great Glen Fault appears to represent the boundary between these two lithospheric mantle domains. Other currently exposed Caledonian tectonic dislocations cannot be correlated directly with compositional changes within the SCLM. The chemical provinciality displayed by the minettes shows some resemblance to that within other late Caledonian igneous suites, including the newer granites, suggesting that the minettes may represent the lithospheric mantle contributions to these rocks.