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The sedimentary fill of Gale crater on Mars is dominated by lacustrine strata that are the focus of investigations into surface processes, climate change and habitability early in the planet's history. This study focuses on the lower part of the explored portion of the Murray formation on Aeolis Mons (Mount Sharp) in the Pahrump Hills and Hartmann's Valley field areas. At Pahrump Hills, sedimentary features and geochemical attributes of exposed mudstones suggest accumulation in an underfilled lake basin in which lake levels, shorelines and salinities fluctuated greatly at various temporal scales. The immediately superjacent stratigraphic interval, designated by the rover team as the Hartmann's Valley member, has previously been interpreted as an aeolian‐deposited sandstone interval. This fresh examination of all available data, however, suggests that the Hartmann's Valley member is strongly dominated by the same mudstone facies that compose most of the underlying Pahrump Hills member. The one novel facies element encountered in the Hartmann's Valley member are undulose bedded to convex bodies of mudstone that are oriented roughly north–south, suggestive of sediment supply from a northern fluvial source. Mudstones analogous in scale and character to these undulose mudstones occur on Earth in multiple modern and ancient lacustrine successions, and are related to deposition of prodelta mud lobes. The mudstones of the Hartmann's Valley member record a continuation of the underfilled evaporitive lake system proposed previously for the underlying Pahrump Hills member but with somewhat more variable environmental conditions. Hartmann's Valley mudstones contain more abundant matrix CaSO4, suggesting more severe evaporitic conditions, whereas the interbedded undulose bedded mudstones signify intermittent freshening and buildout of mud‐dominated deltas into the lake. The textural similarities between Pahrump Hills and Hartmann's Valley strata suggest that the Gale lacustrine system operated at a stable depositional mode with similar environmental parameters during both stratigraphic intervals. [ABSTRACT FROM AUTHOR]

A suite of slate samples collected along a 2 km transect crossing the Lishan fault in central Taiwan were evaluated to assess the role of ductile deformation in natural graphitization at lower greenschist facies metamorphic conditions. The process of natural aromatization, or graphitization, of an organic precursor is well established as a thermally driven process; however, experimental studies have shown that the energy provided by deformation can substantially reduce the activation energy required for graphitization. This study provides a natural example of deformation‐induced graphitization. A strain gradient approaching the Lishan fault was established by scanning electron microscope imaging and X‐ray diffraction analysis of phyllosilicates and quartz that showed an increase in the strength of slaty cleavage development via dissolution‐precipitation processes. Thermal conditions were constrained to be near isothermal using calcite‐dolomite geothermometry. Raman spectroscopic results from carbonaceous material, including D1‐full width‐at‐half‐maximum (FWHM), G‐FWHM, Raman band separation (RBS), and a lesser‐known vibrational mode B2g‐FWHM, showed robust linear trends across the same sampling transect. However, the G‐FWHM parameter showed a trend opposite of that expected from thermally driven graphitization. The Raman results are interpreted to reflect a strain‐driven reduction in graphite crystallite size (decrease in G‐FWHM) but improvement in structural ordering in individual coherent domains. A multiple linear regression with an R2 value of 0.92 predicts the graphite D1‐FWHM values from the XRD‐derived ratio of muscovite populations and muscovite microstrain, demonstrating the concomitant recrystallization of silicates and carbonaceous material across the strain gradient, despite the disparate processes accommodating the deformation. This study demonstrates the role of deformation in natural graphitization and provides a new perspective on the use of graphite as a geothermometer in strongly deformed greenschist facies rocks. [ABSTRACT FROM AUTHOR]

Course-based undergraduate research experiences, or CUREs, have been shown to promote equitable participation in undergraduate research, an opportunity with potent benefits for first-generation and underrepresented minority students. Yet, CUREs are employed disproportionately within STEM fields, and among upperclassmen, despite evidence of their positive effects for lower-level, social science, and humanities students. The project described herein represents an attempt to democratize access to undergraduate research experiences through the implementation of a multi-section, cross-campus CURE in a general education course in criminal justice. Pre- and post-test surveys demonstrated significant increases in participants' perceived research ability, confidence, interest, and knowledge, with gains stable across students by race, income, and class standing. We conclude by proposing a framework for implementing course-based research experiences within introductory courses in the social sciences, including introduction to criminal justice. [ABSTRACT FROM AUTHOR]

The structure of opal has long fascinated scientists. It occurs in a number of structural states, ranging from amorphous to exhibiting features of stacking disorder. Opal‐CT, where C and T signify cristobalite‐ and tridymite‐like interstratification, represents an important link in the length scales between amorphous and crystalline states. However, details about local atomic (dis)order and arrangements extending to long‐range stacking faults in opal polymorphs remain incompletely understood. Here, a multilevel modeling approach is reported that considers stacking states in correlation with the abundance of C and T segments as a high‐level structural parameter (i.e. not each atom). Optimization accounting for inter‐tetrahedral bond lengths and angles and the regularity of the silicate tetrahedra is included as lower levels of structural parameters. Together, a set of parameters with both coarse‐grained and atomistic features for different levels of structural details is refined. Structural disorder at the ∼10–100 Å distance scale is evaluated using experimental pair distribution function and diffraction datasets, comparing peak intensities, widths and asymmetry. This work presents a complete multilevel structural description of natural opal‐CT and explains many of the unusual features observed in X‐ray powder diffraction patterns. This modeling approach can be adopted generally for analyzing layered materials and their assembly into 3D structures. [ABSTRACT FROM AUTHOR]

Mudstone‐dominated lacustrine strata in the Pahrump Hills area of Gale Crater, Mars, have the most extensive data set of physical and geochemical observations yet collected. Although sparse by Earth standards, a source‐to‐sink portrayal of the sedimentary system that differs substantially from previous work has been extracted by integrating sedimentology, stratigraphy, mineral and elemental analyses, geochemical modelling, laboratory experiments and Earth analogues in a sequence‐stratigraphic and palaeogeographical framework. Approximately 3.5 Ga, these 15 m thick strata contain five facies that range from fine to coarse detrital mudstone with abundant sediment‐incorporative evaporite pseudomorphs. The section is dominated by first‐cycle grains of minimally weathered primary igneous minerals but with four distinct compositions. Bedding in the mudstones comprises planar‐parallel beds, current ripples and wave‐induced structures, with common and widespread truncation. The absence of primary desiccation and synaeresis cracks is probably due to minimal clay‐mineral content, as supported by laboratory experiments. Evaporite minerals formed on and within detrital muds shortly after accumulation by evapoconcentration and cooling. The succession contains 16 parasequences in five depositional sequences with all the sequence‐stratigraphic elements known from terrestrial strata. Two of the sequence boundaries are unconformities that record significant shifts in the behaviour and palaeogeographical configuration of the fluvio‐lacustrine system. This contrasts with the previous view that all facies are genetically related. Most of the variability in rock composition can be attributed to stratigraphic changes in provenance that integrate changing drainage basin configurations, type of exposed bedrock and changes in weathering regime. These strata are interpreted as evaporative lake deposits that accumulated in an underfilled lake basin with closed surface hydrography but through‐flowing groundwater. Lake waters were saline to hypersaline, and lake levels, shorelines and salinities fluctuated greatly at various temporal scales. [ABSTRACT FROM AUTHOR]

We report a new sampling strategy for collecting representative samples of drill core. By splitting the core with a diamond saw into working and archive halves, the saw cuttings constitute a "channel" sample, the best subsample from which to obtain an average mineralogical and geochemical composition of a core. We apply this procedure to sampling core of the lower oceanic crust in the Hess Deep obtained during Expedition 345 of the Integrated Ocean Drilling Program (now International Ocean Discovery Program). Our results show that particles produced by sawing range from sand to clay sizes. Sand- and silt-sized cuttings can be sampled with a spatula, whereas clay-sized particles remained in suspension after 12 h and could be collected only by settling, aided by centrifuge. X-ray diffraction (XRD) analysis and Rietveld refinement show that phyllosilicates were fractionated into the clay-sized fraction. Thus, collection of both the sedimented fraction and the clay-sized suspended fraction (commonly > 15 wt % of the total) is necessary to capture the whole sample. The strong positive correlation between the recovered sample mass (in grams) and length of core cut demonstrates that this sampling protocol was uniform and systematic, with almost 1.4 g sediment produced per centimeter of core cut. We show that major-element concentrations of our channel samples compare favorably with the compositions of billet-sized samples analyzed aboard the JOIDES Resolution, but the results show that individual billet analyses are rarely representative of the whole core recovered. A final test of the validity of our methods comes from the strong positive correlation between the loss on ignition (LOI) values of our channel samples and the H 2 O contents calculated from the modal mineralogy obtained by X-ray diffraction and Rietveld refinement. This sampling procedure shows that grain-sized fractionation modifies both mineralogical and chemical compositions; nevertheless, this channel sampling method is a reliable method of obtaining representative samples of bulk cores. With the ever-increasing precision offered by modern analytical instrumentation, this sampling protocol allows the accuracy of the analytical results to keep pace. [ABSTRACT FROM AUTHOR]

In this work, the crystal structure of a natural specimen of the "Messbach-type" variscite from Tooele Co. (Utah, U.S.A.) was determined, and the dehydration process leading to the transition to a new AlPO SB 4 sb phase was monitored at high temperature. Crystal structure description of variscite 2O and comparison with variscite 1O Like variscite I 1O i , the variscite I 2O i crystal structure belongs to the family of framework 3D MT structures in which octahedra (M) and tetrahedra (T) are linked by bridging O atoms ([30]). The Al-coordination change from octahedral to tetrahedral that accompanies dehydration, clearly demonstrated by the SP 27 sp Al NMR data, confirms the removal of the Al-bound H SB 2 sb O molecules as the dehydration mechanism, transforming the variscite octahedral-tetrahedral framework to a purely tetrahedral framework. Keywords: Variscite; X-ray powder diffraction; charge-flipping; nuclear magnetic resonance; polytypism; AlPO4 EN Variscite X-ray powder diffraction charge-flipping nuclear magnetic resonance polytypism AlPO4 1385 1395 11 07/05/22 20220701 NES 220701 Introduction Interest in hydrated aluminophosphates and in compounds that derive from their dehydration spans a wide spectrum of disciplines. [Extracted from the article]

This exploratory study used data collected from a representative sample of 522 Pennsylvania residents and 238 Pennsylvania college students to measure attitudes toward four different types of campus carry (CC) – student, faculty, staff, and universal carry. Findings indicated that a slight majority of both samples believed that armed staff and armed faculty members would be able to neutralize a threat is one arose on a college campus. However, both samples were unconfident in the threat neutralization abilities of armed students. Generally, findings indicated that both samples were unsupportive of any form of CC, although there was greater support indicated for faculty and staff CC than for student or universal CC. Multivariable modeling indicated that gun socialization, political beliefs, and orientations toward law enforcement, were the strongest predictors of support for CC, while gun knowledge exhibited a moderately-strong relationship in some models. Implications based on these findings are discussed within. [ABSTRACT FROM AUTHOR]

Background: Limited information is available on the changes in surface electrochemical properties of different‐sized particles of an Anthrosol, compared with the corresponding parental upland soil. Aims: Our overarching goal was to clarify the contribution of different‐sized particles to the soil surface charge. The specific objectives of this work were to examine the differences in the surface charge properties between the Anthrosol and its upland parental Gleysol and to reveal the properties of the different‐sized fractions separated from the Anthrosol, compared with those of the upland Gleysol. Materials and methods: The properties (e.g., negative surface charge, zeta potential, and particle sedimentation) of different‐sized fractions of nanoparticle (NP), coarse colloid, silt, and sand fractions separated from an upland Gleysol and its derived Anthrosol were compared. Results: NPs in both the Anthrosol and the Gleysol carried more negative charge than did the coarse colloids, with cation exchange capacities (CEC) being 186.5% and 58.8% greater, respectively. On the other hand, the presence of more positively charged Fe/Al (hydr)oxides compensated for the negative charge, resulted in a zeta potential of the NPs similar to that of the coarse colloids. More secondary minerals were observed in the coarse colloids of the Anthrosol than in the same fraction of the Gleysol, resulting in more negative charge on the surface of the Anthrosol coarse colloids. The coarse colloid fraction of the Anthrosol, therefore, had a greater CEC, despite representing a smaller mass fraction than in the Gleysol. Overall, the CEC of the Anthrosol was 21% lower than that of the parent Gleysol, which was consistent with the findings of the surface charge, using the cesium (Cs+)‐adsorption method. The sedimentation observations demonstrated that the suspension stability of the NPs was higher than that of the coarse colloids, and that they tended to disperse particularly under high pH conditions. Conclusions: Although the surface charge potential of the Anthrosol was lower than that of the upland Gleysol, the accumulation of organic matter and formation of secondary phyllosilicates resulted in maintenance of the nutrient‐ and pollutant‐binding capacity and agricultural productivity of the Anthrosol. [ABSTRACT FROM AUTHOR]

Clay minerals in fine‐grained marine sedimentary successions are most commonly considered to be detrital in origin and have been used extensively by geologists as indicators of palaeoclimate conditions in the hinterland. Most of these previous studies, however, were not designed to address in depth the potential effects of mixing clay minerals from multiple sources and the formation of authigenic clay minerals during early diagenesis on the ultimately observed clay mineral assemblages of fine‐grained marine sedimentary successions. Herein, clay minerals in shales and bentonites of the Tununk Shale Member in south‐central Utah were examined through integrated X‐ray diffraction and petrographic (scanning electron microscopy) analysis, to evaluate the various origins of clay minerals in this offshore mudstone succession. Clays in Tununk bentonites contain dominantly smectite (>80%) and a minor amount of kaolinite. Clays in Tununk shale samples consist dominantly of mixed‐layer illite/smectite with up to 45% illite‐like layers, small amounts of kaolinite and mica, and in places trace amounts of chlorite. Clay minerals in Tununk shale samples occur in the following three forms: (a) in clay‐dominated aggregates (i.e. smectite‐dominated altered volcanic rock fragments and illite/smectite‐dominated shale lithics); (b) in the fine‐grained matrix (mostly illite/smectite and minor amounts of mica and kaolinite); and (c) in intergranular and intragranular pore spaces (authigenic smectite, kaolinite and chlorite). Possible sources for the mixed‐layer illite/smectite in shales include (a) erosion of older smectite‐bearing mudstone successions and (b) weathering of volcanic rocks or volcanic debris that had been deposited on land. Most of the kaolinite and chlorite in the Tununk Shale were precipitated as pore‐filling cements, rather than having a terrigenous source (as weathering products). A comprehensive understanding of the multiple origins of clay minerals (e.g. terrigenous input, volcanic input, recycled sediments and diagenesis) in marine mudstone successions is critical when attempting to use clay mineral data for reconstructions of palaeoclimate and burial and thermal histories. [ABSTRACT FROM AUTHOR]

Diffraction effects from interstratified phyllosilicates have been studied extensively, and several computer programs such as NEWMOD© are available to facilitate interpretation of X-ray diffraction (XRD) profiles. However, accurate quantification of samples containing multiple interstratified phyllosilicate minerals is difficult due to the generally subjective nature of interpretations. More recent automated fitting interpretations require extensive computational effort, involving numerous calculations of profiles with different fitting-parameter values. Computational cost in time per calculation is the key factor influencing the overall efficiency of automated profile fitting. In general, the matrix methodology developed by Kakinoki and Komura is more efficient than the NEWMOD© architecture. A new matrix methodology was developed that reduces the number of matrix operations such as multiplication and addition, and these modifications improve calculation efficiency by up to a factor of three, with even greater improvement for small crystallite sizes (< 20 layers). A new computer program, ClayStrat, based on the modified matrix methodology, was developed to calculate one-dimensional XRD profiles from interstratified phyllosilicates along the Z direction. [ABSTRACT FROM AUTHOR]

This study evaluated the Cretaceous (Campanian–Maastrichtian) kaolinitic sediments of the Ajali/Mamu and Enugu/Nkporo Formations from the Lower Benue Trough of Nigeria. A combined method of inductively coupled plasma–mass spectrometry and isotope ratio mass spectrometry was used to investigate trace and rare-earth element geochemistry and hydrogen and oxygen isotopic compositions. These data were then used to infer the sediments' provenance and paleoclimatic conditions during their deposition. The sediments contained low concentrations of most trace elements, with the exceptions of Zr (651–1352 ppm), Ba (56–157 ppm), V (38–90 ppm), and Sr (15.1–59.6 ppm). Average values of Co and Ni were 1.5 and 0.7 ppm, respectively. Trace and rare earth element values were lower than corresponding values for upper continental crust and Post-Archean Australian Shale, with the exception of Zr. The samples showed only slight light rare-earth enrichment and nearly flat heavy rare-earth depletion patterns, with negative Eu and Tm anomalies, typical of felsic sources. Geochemical parameters such as La/Sc, Th/Sc, and Th/Co ratios support that the kaolinitic sediments were derived from a felsic rock source, likely deposited in an oxic environment. 18O values ranged from + 15.4 to + 21.2‰ for the investigated samples, consistent with a residual material derived from chemical weathering of felsic rock and redeposited in a sedimentary basin (typical values of + 19 to + 21.2‰). While in the basin, the sediments experienced extended interactions with meteoric water enriched in δD and δ16O. However, the variation in δD and δ16O values for the investigated samples is attributed to the high temperature of formation (54–91 °C). The δD and δ18O values suggest that the sediments, although obtained from different localities within the Lower Benue Trough, formed under similar hot, tropical climatic conditions. [ABSTRACT FROM AUTHOR]

Explanations for distinct adjacent ecosystems that extend across hilly landscapes typically point to differences in climate or land use. Here we document—within a similar climate—how contrasting regional plant communities correlate with distinct underlying lithology and reveal how differences in water storage capacity in the critical zone (CZ) explain this relationship. We present observations of subsurface CZ structure and groundwater dynamics from deep boreholes and quantify catchment‐wide dynamic water storage in two Franciscan rock types of the Northern California Coast Ranges. Our field sites have a Mediterranean climate, where rains are out of phase with solar energy, amplifying the importance of subsurface water storage for periods of peak ecosystem productivity in the dry season. In the deeply weathered (~30 m at ridge) Coastal Belt argillite and sandstone, ample, seasonally replenished rock moisture supports an evergreen forest and groundwater drainage sustains baseflow throughout the summer. In the Central Belt argillite‐matrix mélange, a thin CZ (~3 m at ridge) limits total dynamic water storage capacity (100–200 mm) and rapidly sheds winter rainfall via shallow storm and saturation overland flow, resulting in low plant‐available water (inferred from predawn tree water potential) and negligible groundwater storage that can drain to streams in summer. This storage limitation mechanism explains the presence of an oak savanna‐woodland bounded by seasonally ephemeral streams, despite >1,800 mm of average precipitation. Through hydrologic monitoring and subsurface characterization, we reveal a mechanism by which differences in rock type result in distinct regionally extensive plant communities under a similar climate. Plain Language Summary: The ability of the subsurface critical zone—extending from the ground surface down to fresh, unweathered bedrock—to store and release water to plants and streams is a key variable explaining ecosystem composition and function. The storage and release of water are particularly important in Mediterranean climates, where rain arrives in winter and summers are typically warm and dry. Here plants rely half the year on seasonally replenished water from belowground. We documented how the subsurface structure of the critical zone determines how water is shed from landscapes and how much water can be seasonally stored. We found that locations with a thicker critical zone had higher water storage capacity, more productive ecosystems, deeper groundwater runoff generation, and greater summer streamflow. Where the critical zone is thin and storage capacity is limited, the subsurface completely saturates, and the landscape sheds incoming rain via surface runoff. This water storage limitation explains the presence of an oak savanna‐woodland in the Northern California Coast Ranges, where rainfall is ample, and neighboring areas experiencing similar climate have towering forest canopies. Rock type governed these variations, highlighting its importance in determining the distribution of ecosystems and water runoff pathways to streams. Key Points: Under a similar climate, adjacent landscapes across an extensive region of the Northern California Coast Ranges are either evergreen forest or deciduous oak savannahLithology controls the extent of bedrock weathering and water storage capacity and thereby plant‐available moisture in the summer dry seasonA thick subsurface critical zone supports evergreen forest, whereas an adjacent thin subsurface critical zone sustains savannah [ABSTRACT FROM AUTHOR]

Magmatic conditions prior to explosive eruption are often investigated using geochemical signatures in glassy components of pyroclastic deposits and related to magmatic processes at depth. One important process is fractional crystallization, which causes systematic changes to the SiO2/Al2O3 ratio of the residual melt that can be determined by observation of the mineralogy of fully crystallized lavas, by experimental petrology, and by magmatic modeling. However, for many alkaline-mafic pyroclastic deposits, the record of residual melt compositions is obscured by alteration, commonly affecting more than 50% of pyroclastic rock components including reactive glass and some susceptible minerals. In this study, melt signatures of SiO2/Al2O3 represented heterogeneously by the scarce fresh glass and abundant, zeolitized proxy-glass in the alkaline deposits of a major, caldera-forming eruption were used in conjunction with a model system (Rhyolite-MELTS) to reconstruct residual melt compositions and characteristics that existed immediately prior to explosive eruption. Through the model, full major oxide compositions of residual melts and fractionally crystallizing minerals become accessible, with associated constraints on volatiles and physical characteristics (melt temperature, density, viscosity). The use of zeolitized proxy-glass signatures relies on established and deposit-specific evidence for "hydrologically closed" systems that suggests the SiO2/Al2O3 ratio is closely retained through initial alteration reactions and therefore closely representative of SiO2/Al2O3 in the precursor glass (erupted melt). The relationship is supported by a review of available, paired data (R2 = 0.94). Therefore, magmatic system data for the abundant and pervasive fine ash fraction of pyroclastic deposits can be investigated using this method and can progress more deeply beyond the widely used simple affiliation to igneous rock classification. Model-predicted magmatic mineral compositions (clinopyroxene, spinel, and nepheline as demonstrated here) serve to validate a case study reconstruction by comparison with compositions reported from natural and experimental samples. This predictive capability of the novel procedure is demonstrated in the case of a major caldera-forming eruption, the 355 ka Villa Senni event of the quiescent Colli Albani volcano, Rome, Italy, and its pervasively zeolitized Tufo Lionato deposit (>50 km3). The key finding is that a more-evolved residual melt fraction has been revealed, based on a reconstructed SiO2/Al2O3 ratio of 2.05 relative to that of the parent magma at 2.68, with implications for a reappraisal of pre-eruptive conditions and eruption mechanisms, and potentially for similar patterns across the volcanic stratigraphy and for other alkaline volcanoes. [ABSTRACT FROM AUTHOR]

The Sheepbed mudstone forms the base of the strata examined by the Curiosity rover in Gale Crater on Mars, and is the first bona fide mudstone known on another planet. From images and associated data, this contribution proposes a holistic interpretation of depositional regime, diagenesis and burial history. A lake basin probably received sediment pulses from alluvial fans. Bed cross-sections show millimetre to centimetre-scale layering due to distal pulses of fluvial sediment injections (fine-grained hyperpycnites), fall-out from river plumes, and some aeolian supply. Diagenetic features include mineralized synaeresis cracks and millimetre-scale nodules, as well as stratiform cementation. Clay minerals were initially considered due to in situ alteration, but bulk rock chemistry and mineralogy suggests that sediments were derived from variably weathered source rocks that probably contained pre-existing clay minerals. X-ray diffraction analyses show contrasting clay mineralogy in closely spaced samples, consistent with at least partial detrital supply of clay minerals. A significant ( ca 30 wt%) amorphous component is consistent with little post-depositional alteration. Theoretical modelling of diagenetic reactions, as well as kinetic considerations, suggest that the bulk of diagenetic clay mineral formation occurred comparatively late in diagenesis. Diagenetic features (synaeresis cracks and nodules) were previously thought to reflect early diagenetic gas formation, but an alternative scenario of synaeresis crack formation via fabric collapse of flocculated clays appears more likely. The observed diagenetic features, such as solid nodules, hollow nodules, matrix cement and 'raised ridges' (synaeresis cracks) can be explained with progressive alteration of olivine/glass in conjunction with centrifugal and counter diffusion of reactive species. Anhydrite-filled fractures in the Sheepbed mudstone occurred late in diagenesis when fluid pressures built up to exceed lithostatic pressure. Generating fluid overpressure by burial to facilitate hydraulic fracturing suggests a burial depth of at least 1000 m for the underlying strata that supplied these fluids. [ABSTRACT FROM AUTHOR]

A new full-precision algorithm to solve the Debye scattering equation has been developed for high-performance computing of powder diffraction line profiles from large-scale atomistic models of nanomaterials. The Debye function was evaluated using a pair distribution function computed with high accuracy, exploiting the series expansion of the error between calculated and equispace-sampled pair distances of atoms. The intensity uncertainty (standard deviation) of the computed diffraction profile was estimated as a function of the algorithm-intrinsic approximations and coordinate precision of the atomic positions, confirming the high accuracy of the simulated pattern. Based on the propagation of uncertainty, the new algorithm provides a more accurate powder diffraction profile than a brute-force calculation. Indeed, the precision of floating-point numbers employed in brute-force computations is worse than the estimated accuracy provided by the new algorithm. A software application, ROSE-X, has been implemented for parallel computing on CPU/GPU multi-core processors and distributed clusters. The computing performance is directly proportional to the total processor speed of the devices. An average speed of ∼30 × 109 computed pair distances per second was measured, allowing simulation of the powder diffraction pattern of an ∼23 million atom microstructure in a couple of hours. Moreover, the pair distribution function was recorded and reused to evaluate powder diffraction profiles of the same system with different properties ( i.e. Q rather than 2θ range, step and wavelength), avoiding additional pair distance computations. This approach was used to investigate a large collection of monoatomic and polyatomic microstructures, isolating the contribution from atoms belonging to different moieties ( e.g. different species or crystalline domains). [ABSTRACT FROM AUTHOR]

Dolomite [CaMg(CO3)2] forms in numerous geological settings, usually as a diagenetic replacement of limestone, and is an important component of petroleum reservoir rocks, rocks hosting base metal deposits and fresh water aquifers. Dolomite is a rhombohedral carbonate with a structure consisting of an ordered arrangement of alternating layers of Ca2+ and Mg2+ cations interspersed with [ABSTRACT FROM AUTHOR]

The Mars Science Laboratory (MSL) rover Curiosity has documented a section of fluvio-lacustrine strata at Yellowknife Bay (YKB), an embayment on the floor of Gale crater, approximately 500 m east of the Bradbury landing site. X-ray diffraction (XRD) data and evolved gas analysis (EGA) data from the CheMin and SAM instruments show that two powdered mudstone samples (named John Klein and Cumberland) drilled from the Sheepbed member of this succession contain up to ~20 wt% clay minerals. A trioctahedral smectite, likely a ferrian saponite, is the only clay mineral phase detected in these samples. Smectites of the two samples exhibit different 001 spacing under the low partial pressures of H2O inside the CheMin instrument (relative humidity <1%). Smectite interlayers in John Klein collapsed sometime between clay mineral formation and the time of analysis to a basal spacing of 10 Å, but largely remain open in the Cumberland sample with a basal spacing of ~13.2 Å. Partial intercalation of Cumberland smectites by metal-hydroxyl groups, a common process in certain pedogenic and lacustrine settings on Earth, is our favored explanation for these differences. The relatively low abundances of olivine and enriched levels of magnetite in the Sheepbed mudstone, when compared with regional basalt compositions derived from orbital data, suggest that clay minerals formed with magnetite in situ via aqueous alteration of olivine. Mass-balance calculations are permissive of such a reaction. Moreover, the Sheepbed mudstone mineral assemblage is consistent with minimal inputs of detrital clay minerals from the crater walls and rim. Early diagenetic fabrics suggest clay mineral formation prior to lithification. Thermodynamic modeling indicates that the production of authigenic magnetite and saponite at surficial temperatures requires a moderate supply of oxidants, allowing circum-neutral pH. The kinetics of olivine alteration suggest the presence of fluids for thousands to hundreds of thousands of years. Mineralogical evidence of the persistence of benign aqueous conditions at YKB for extended periods indicates a potentially habitable environment where life could establish itself. Mediated oxidation of Fe2+ in olivine to Fe3+ in magnetite, and perhaps in smectites provided a potential energy source for organisms. [ABSTRACT FROM AUTHOR]

The mineralogy of evaporites from the Lewis Cliff ice tongue (LCIT), Antarctica, and their mineral stabilities and transformation behaviours under different temperature and relative humidity (RH) conditions have been evaluated to elucidate formation mechanism(s). A variety of sodium (Na)-rich evaporite minerals were documented using RH-controlled powder X-ray diffraction (XRD) methods including Na-sulfates (mirabilite and thenardite), Na-carbonate/bicarbonates (nahcolite, occasional trona and natron) and Na-borates (qilianshanite and borax). Mirabilite begins to dehydrate to thenardite, and natron to trona and natrite when exposed to room temperature, even when maintained at RH values similar to those measured at the LCIT (50–70%). The boron-mineral qilianshanite was discovered for the first time in Antarctica within the evaporite mounds. The mirabilite-rich mounds are deduced to have formed via a freezing/sublimation process that occurred in glacial or subglacial bodies of water supplied by glacial tills containing microbially oxidized sulfate ions. The needle-like nahcolite crystals growing on the exteriors of the mounds suggest a dissolution/precipitation process involving atmospheric CO2 and water. The co-existence of nahcolite and boron-bearing minerals indicates the presence of a Na+-, HCO3-- and boron-bearing alkaline brine, which produces qilianshanite as a secondary mineral by reaction of nahcolite and borax in atmospheric CO2 and H2O. [ABSTRACT FROM PUBLISHER]

Sulfate minerals are important indicators for aqueous geochemical environments. The geology and mineralogy of Mars have been studied through the use of various remote-sensing techniques, including thermal (mid-infrared) emission and visible/near-infrared reflectance spectroscopies. Spectral analyses of spacecraft data (from orbital and landed missions) using these techniques have indicated the presence of sulfate minerals on Mars, including Fe-rich sulfates on the iron-rich planet. Each individual Fe-sulfate mineral can be used to constrain bulk chemistry and lends more information about the specific formational environment [e.g., Fe2+ sulfates are typically more water soluble than Fe3+ sulfates and their presence would imply a water-limited (and lower Eh) environment; Fe3+ sulfates form over a range of hydration levels and indicate further oxidation (biological or abiological) and increased acidification]. To enable better interpretation of past and future terrestrial or planetary data sets, with respect to the Fe-sulfates, we present a comprehensive collection of mid-infrared thermal emission (2000 to 220 cm-1; 5-45 µm) and visible/near-infrared (0.35-5 µm) spectra of 21 different ferrous- and ferric-iron sulfate minerals. Mid-infrared vibrational modes (for SO4, OH, H2O) are assigned to each thermal emissivity spectrum, and the electronic excitation and transfer bands and vibrational OH, H2O, and SO4 overtone and combination bands are assigned to the visible/near-infrared reflectance spectra. Presentation and characterization of these Fe-sulfate thermal emission and visible/near-infrared reflectance spectra will enable the specific chemical environments to be determined when individual Fe-sulfate minerals are identified. [ABSTRACT FROM AUTHOR]

Nitrous acid (HONO) is an important hydroxyl (OH) radical source that is formed on both ground and aerosol surfaces in the well-mixed boundary layer. Recent studies report the release of HONO from nonacidic soils, although it is unclear how soil that is more basic than the pka of HONO (∼3) is capable of protonating soil nitrite to serve as an atmospheric HONO source. Here, we used a coated-wall flow tube and chemical ionization mass spectrometry (CIMS) to study the pH dependence of HONO uptake onto agricultural soil and model substrates under atmospherically relevant conditions (1 atm and 30% relative humidity). Experiments measuring the evolution of HONO from pH-adjusted surfaces treated with nitrite and potentiometric titrations of the substrates show, to our knowledge for the first time, that surface acidity rather than bulk aqueous pH determines HONO uptake and desorption efficiency on soil, in a process controlled by amphoteric aluminum and iron (hydr)oxides present. The results have important implications for predicting when soil nitrite, whether microbially derived or atmospherically deposited, will act as a net source or sink of atmospheric HONO. This process represents an unrecognized mechanism of HONO release from soil that will contribute to HONO emissions throughout the day. [ABSTRACT FROM AUTHOR]

We present an X-ray diffraction and multi-nuclear (²H and 43Ca) NMR study of Ca-exchanged hectorite (a smectite clay) that provides important new insight into molecular behavior at the smectite-H2O interface. Variable-temperature 43Ca MAS NMR and controlled humidity XRD indicate that Ca2+ occurs as proximity-restricted outer-sphere hydration complexes between -120 and +25 °C in a two-layer hydrate and at T ≤ -50 °C in a 2:1 water/solid paste. Changes in the 43Ca NMR peak width and position with temperature are more consistent with diffusion-related processes than with dynamics involving metal-surface interactions such as site exchange. The ²H NMR signal between -50 and +25 °C for a two-layer hydrate of Ca-hectorite is similar to that of Na- and other alkali metal hectorites and represents 2H2O molecules experiencing anisotropic motion describable using the ²H C2/C3 jump model we proposed previously. ²H T1 relaxation results for Ca- and Na-hectorite are well fit with a fast-exchange limit, rotational diffusion model for ²H2O dynamics, yielding GHz-scale rotational reorientation rates compatible with the C3 component of the C2/C3 hopping model. The apparent activation energy for ²H2O rotational diffusion in the two-layer hydrate is greater for Ca-hectorite than Na-hectorite (25.1 vs. 21.1 kJ/mol), consistent with the greater affinity of Ca2+ for H2O. The results support the general principle that the dynamic mechanisms of proximity-restricted H2O are only weakly influenced by the cation in alkali metal and alkaline earth metal smectites and provide critical evidence that the NMR resonances of charge-balancing cations in smectites become increasingly influenced by diffusion-like dynamic processes at low temperatures as the charge density of the unhydrated cation increases. [ABSTRACT FROM AUTHOR]

Copyright of Építőanyag: Journal of Silicate Based & Composite Materials is the property of Epitoanyag - Journal of Silicate Based & Composite Materials and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Changes in the mechanisms of formation and global distribution of phyllosilicate clay minerals through 4.567 Ga of planetary evolution in our solar system reflect evolving tectonic, geochemical, and biological processes. Clay minerals were absent prior to planetesimal formation ~4.6 billion years ago but today are abundant in all near-surface Earth environments. New clay mineral species and modes of clay mineral paragenesis occurred as a consequence of major events in Earth's evolution--notably the formation of a mafic crust and oceans, the emergence of granite-rooted continents, the initiation of plate tectonics and subduction, the Great Oxidation Event, and the rise of the terrestrial biosphere. The changing character of clay minerals through time is thus an important part of Earth's mineralogical history and exemplifies the principles of mineral evolution. [ABSTRACT FROM AUTHOR]

Hydrated evaporite minerals have the ability to hold large amounts of H2O, making them a potential source of H2O in cold, low-... environments such as the surface of Mars. Many of these hydrated evaporite minerals experience a reversible change in hydration state in response to changes in temperature (T) and relative humidity (RH). Such phases may thus have the potential to interact with the martian atmosphere on a daily or seasonal basis. The Na2Mg(SO4)2⋅nH2O system was previously thought to contain three hydrated phases: a decahydrate (n = 10), konyaite (n = 5), and blödite (n = 4). We examined this system using temperature- and RH-controlled X-ray powder diffraction (XRD) methods, as well as temperature-controlled single-crystal X-ray diffraction. When blödite was exposed to sub-freezing conditions, T ≤ -10 °C, a new phase was produced (n = 16, 52 wt%H2O). Similar low-temperature behavior has been documented in the MgSO4⋅nH2O system, through the presence of meridianiite (Peterson et al. 2007). The hydration and dehydration behavior of phases in the Na2Mg(SO4)2⋅nH2O system was evaluated with powder XRD from -30 to >25 °C and from ~99 to near 0% RH, and single-crystal XRD data were collected for the n = 16 phase at -120 °C. The 16-hydrate is triclinic, space group P..., with unit-cell parameters a = 6.5590(12), b = 6.6277(14), c = 14.441(3) Å, α = 87.456(15)°, β = 79.682(15)°, γ = 65.847(13)°, and a unit-cell volume of 563.3(2) ų. The existence of this new phase at low temperatures, its high hydration state, and its ability to form reversibly from blödite all suggest that if phases in this system exist on the martian surface, they will participate in the Mars H2O cycle. [ABSTRACT FROM AUTHOR]

A principal goal of the Mars Science Laboratory (MSL) rover Curiosity is to identify and characterize past habitable environments on Mars. Determination of the mineralogical and chemical composition of Martian rocks and soils constrains their formation and alteration pathways, providing information on climate and habitability through time. The CheMin X-ray diffraction (XRD) and X-ray fluorescence (XRF) instrument on MSL will return accurate mineralogical identifications and quantitative phase abundances for scooped soil samples and drilled rock powders collected at Gale Crater during Curiosity's 1-Mars-year nominal mission. The instrument has a Co X-ray source and a cooled charge-coupled device (CCD) detector arranged in transmission geometry with the sample. CheMin's angular range of 5 to 50 2 θ with <0.35 2 θ resolution is sufficient to identify and quantify virtually all minerals. CheMin's XRF requirement was descoped for technical and budgetary reasons. However, X-ray energy discrimination is still required to separate Co K α from Co K β and Fe K α photons. The X-ray energy-dispersive histograms (EDH) returned along with XRD for instrument evaluation should be useful in identifying elements Z>13 that are contained in the sample. The CheMin XRD is equipped with internal chemical and mineralogical standards and 27 reusable sample cells with either Mylar or Kapton windows to accommodate acidic-to-basic environmental conditions. The CheMin flight model (FM) instrument will be calibrated utilizing analyses of common samples against a demonstration-model (DM) instrument and CheMin-like laboratory instruments. The samples include phyllosilicate and sulfate minerals that are expected at Gale crater on the basis of remote sensing observations. [ABSTRACT FROM AUTHOR]

Relative humidity ( $$ P_{{{\text{H}}_{ 2} {\text{O}}}} $$, partial pressure of water)-dependent dehydration and accompanying phase transitions in NAT-topology zeolites (natrolite, scolecite, and mesolite) were studied under controlled temperature and known $$ P_{{{\text{H}}_{ 2} {\text{O}}}} $$ conditions by in situ diffuse-reflectance infrared Fourier transform spectroscopy and parallel X-ray powder diffraction. Dehydration was characterized by the disappearance of internal HO vibrational modes. The loss of HO molecules caused a sequence of structural transitions in which the host framework transformation path was coupled primarily via the thermal motion of guest Na/Ca cations and HO molecules. The observation of different interactions of HO molecules and Na/Ca cations with host aluminosilicate frameworks under high- and low- $$ P_{{{\text{H}}_{ 2} {\text{O}}}} $$ conditions indicated the development of different local strain fields, arising from cation-HO interactions in NAT-type channels. These strain fields influence the Si-O/Al-O bond strength and tilting angles within and between tetrahedra as the dehydration temperature is approached. The newly observed infrared bands (at 2,139 cm in natrolite, 2,276 cm in scolecite, and 2,176 and 2,259 cm in mesolite) result from strong cation-HO-Al-Si framework interactions in NAT-type channels, and these bands can be used to evaluate the energetic evolution of Na/Ca cations before and after phase transitions, especially for scolecite and mesolite. The 2,176 and 2,259 cm absorption bands in mesolite also appear to be related to Na/Ca order-disorder that occur when mesolite loses its Ow4 HO molecules. [ABSTRACT FROM AUTHOR]

Although the transition of the blueschist to greenschist facies has been modeled by the reaction glaucophane (Gln) + paragonite (Pg) + water (V) = clinochlore (Chl) + albite (Ab) + quartz (Qtz), we have found in the system Na2O-MgO-Al2O3-SiO2-H2O that smectite (Smec) forms repeatedly and persistently through the approximate reaction Gln + Chl = Smec ± Ab. The reaction was verified using both synthetic and natural Gln and Chl, where in all cases complete reaction of Chl occurs in the presence of Gln to yield Smec. We have, therefore, investigated the reaction Gln + Pg + Qtz ± V = Smec + Ab, as a possible alternative to the first reaction. The reaction Gln + Pg + Qtz ± V = Smec + Ab was studied over the P-T range of 600--800 °C and 1.4--2.0 GPa keeping the water content in the range of 0--4 wt% to avoid the direct reaction of Gln to Smec + Ab at water contents above 4 wt%. The was experimentally reversed at 600 °C and 1.60(5) GPa, 700 °C and 1.70(5) GPa, and at 800 °C and 1.90(5) GPa (at 0 wt% water content), but with partial melting at 800 °C and pressure ≤2.0 GPa with water ≥3 wt%. The compositions of the phases and the state of A1-Si disorder in the albite were determined. The amphibole showed minor increase in Al and decrease in Mg and Si relative to the glaucophanic amphibole starting material, whereas paragonite showed minor enrichment in Mg and Si at the highest temperatures, complementary to the change in amphibole composition. Albite showed only limited ordering with decrease in temperature. Smectite at 600--700 °C has the average composition Na0.25Mg2.21A11.19Si3.44 O10(OH)2·nH2O and shows slight Mg depletion and Al enrichment at 800 °C. Evidence for at least some Mg enrichment in the interlayer cation sites was supported by powder X-ray diffraction with in situ heating stage analyses using changes in the d001 reflection at 200 °C as an approximate indication of Mg for Na substitution. The composition of smectite formed in this study is quite similar to that of other natural trioctahedral phyllosilicates reported in the literature. This, together with the experimental reversibility of the reaction observed here, indicates that smectite can form as a progressive metamorphic mineral at greenschist- and amphibole-facies conditions, particularly at the expense of chlorite and glaucophane. [ABSTRACT FROM AUTHOR]

Copyright of Hydrogeology Journal is the property of Springer Nature and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Progress in understanding mineral evolution, Earth's changing near-surface mineralogy through time, depends on the availability of detailed information on mineral localities of known ages and geologic settings. A comprehensive database including this information, employing the mindat.org web site as a platform, is now being implemented. This resource will incorporate software to correlate a range of mineral occurrences and properties vs. time, and it will thus facilitate studies of the changing diversity, distribution, associations, and characteristics of individual minerals as well as mineral groups. The Mineral Evolution Database thus holds the prospect of revealing mineralogical records of important geophysical, geochemical, and biological events in Earth history. [ABSTRACT FROM AUTHOR]

The article presents a study on the crystal structures of magnesium perchlorate dehydrate and tetrahydrate. The study employs Rietveld method to determine the crystal structures, thermogravimetric analysis, and X-ray power diffraction. It examines the structural evolution and the dehydration reactions under partial pressure of water (H2O) and controlled temperatures. The study shows that the dehydration of hexahydrate led to re-crystallization and dissolution.

Zeolites are low-density silicates with structures consisting of a negatively charged aluminosilicate framework that creates a system of uniform linked channels and cavities. Variable amounts of extraframework cations and H2O molecules occupy the channel system, and the H2O molecules are very responsive to changes in temperature, pressure and partial pressure of water (i.e. PH2O or relative humidity, RH). As the H2O molecules occupy much of the volume of the extraframework sites, a gain or loss of H2O molecules has a direct effect on the extraframework cations and an indirect effect on the framework. Temperature or RH-induced changes can result in both first- and second-order phase transitions, the latter resulting from continuous, minor changes in hydration state and cation position, and the former resulting from discrete changes in hydration state, which can cause similar shifts in cation position. Second-order transitions are typically reversible with no hysteresis, but first-order transitions exhibit considerable hysteresis. As H2O molecules are crucial in determining zeolite behavior, it is important that any study of thermal behavior involve control of not only temperature but also of relative humidity. Stabilization of a zeolite's hydrated phase to higher temperatures under higher RH conditions can cause some phase transitions to be missed, as is the case with natrolite. [ABSTRACT FROM AUTHOR]

The recent identification of clay minerals on the Martian surface using visible-near infrared reflectance spectroscopy has had a profound effect on our view of aqueous alteration on Mars. Smectite, chlorite, kaolin group, and serpentine group minerals have been detected using the CRISM and OMEGA spectrometers, with Fe/Mg-smectite and chlorite varieties being the dominant types discovered throughout the ancient crust. Aqueous, eolian, and impact processes have transported and recycled some of these clays such that their current locations may not accurately reflect their formation environments. However, detrital clays could prove useful for constraining transport pathways and sediment provenance. Here we discuss the impact craters and channels that comprise the Uzboi-Ladon-Morava system, including Holden, Eberswalde, and Ladon craters, which represents a large-scale sediment sink for clay minerals derived from the surrounding Noachian crust. This system contains thick deposits of clay mineral-bearing strata that likely record a wide range of alluvial, fluvial, lacustrine, and eolian processes that provide direct insight into the Martian clay cycle. Broad concepts of sediment sources, sinks, and sediment transport paths can be outlined using orbital data, but future in situ exploration of the Martian sedimentary rock record will be necessary to distinguish fully between detrital and authigenic clay minerals, and thus to determine environmental conditions and transitions on ancient Mars. [ABSTRACT FROM AUTHOR]

- The 0.35-2.5 μm reflectance spectra of iron meteorite powders and slabs have been studied as a function of composition, surface texture (for slabs), grain size (for powders), and viewing geometry (for powders). Powder spectra are invariably red-sloped over this wavelength interval and have a narrow range of visible albedos (approximately 10-15% at 0.56 μm). Metal (Fe:Ni) compositional variations have no systematic effect on the powder spectra, increasing grain size results in more red-sloped spectra, and changes in viewing geometry have variable effects on overall reflectance and spectral slope. Roughened metal slab spectra have a wider, and higher, range of visible albedos than powders (22-74% at 0.56 μm), and are also red-sloped. Smoother slabs exhibit greater differences from iron meteorite powder spectra, exhibiting wider variations in overall reflectance, spectral slopes, and spectral shapes. No unique spectral parameters exist that allow for powder and slab spectra to be fully separated in all cases. Spectral differences between slabs and powders can be used to constrain possible surface properties, and causes of rotational spectral variations, of M-asteroids. The magnitude of spectral variations between M-asteroids and rotational and spectral variability does not necessarily imply a dramatic change in surface properties, as the differences in albedo and/or spectral slope can be accommodated by modest changes in grain size (for powders), small changes in surface roughness (for slabs), or variations in viewing geometry. Since metal powders exhibit much less spectral variability than slabs, M-asteroid spectral variability requires larger changes in either powder properties or viewing geometry than for slabs for a given degree of spectral variation. [ABSTRACT FROM AUTHOR]

The crystal structures of natrolite and its dehydrated high-temperature phases (α1- and α2-metanatrolite) have been determined from powder X-ray diffraction measurements as a function of temperature and partial pressure of water (PH2O) to characterize the phase transition behavior. The evolution of crystal structure as a function of temperature shows two different phase transitions, depending on the PH2O, with α1-metanatrolite occurring at elevated PH2O and α2-metanatrolite occurring at low PH2O. Our discovery of α2-metanatrolite implies the existence of more than one transition mechanism, which we correlate with the migration of Na+ ions and the rate of evolution of H2O molecules. The transition behavior is rationalized in terms of two cooperating mechanisms: (1) dehydration-induced processes, which determine the phase transition temperature; and (2) thermally induced processes, which determine how the framework and its extraframework cations are modified. [ABSTRACT FROM AUTHOR]

Yucca Mountain, Nevada, has been approved by the U.S. Congress as the site of the first high-level radioactive waste repository in the U.S., paving the way for the Department of Energy to submit a license application to the Nuclear Regulatory Commission. The U.S. concept of a radioactive waste repository involves both engineered (man-made) barriers and geologic barriers to minimize the long-term migration of waste from the repository. The minerals at Yucca Mountain are an integral part of the geologic barrier to the migration of radionuclides, and understanding the distribution of reactive and potentially sorptive minerals is crucial to modeling the long-term performance of the repository. We have determined the three-dimensional distribution of minerals at Yucca Mountain by analyzing a number of drill cores using quantitative X-ray diffraction methods. Clinoptilolite and mordenite are locally abundant in the rhyolitic tuffs in both the unsaturated and saturated zones. They formed by the alteration of glassy rhyolitic tuffs, and their occurrence is stratified, often following the distribution of nonwelded, initially vitric tuffs near and below the water table. Because of their large cation-exchange capacities, these minerals have traditionally been considered to be important in retardation of the migration of cationic radionuclides such as [sup137]Cs and [sup90]Sr. However, analysis of radionuclides that may be contained at Yucca Mountain reveals that, for the most part, the radioactive species of concern are not those that would be readily sorbed by natural zeolites. Although clinoptilolite and mordenite are highly selective for Cs and Sr, the half-lives of these radionuclides (∼30 years) are sufficiently short that the man-made containment at any radioactive waste repository is expected to outlive these radionuclides. The most important radionuclides are thus anionic species and long-lived actinides that often form large, complex aqueous species, both of... [ABSTRACT FROM AUTHOR]

An isosymmetric displacive structural transformation in the hydrous layer silicate dickite [Al[sub2]Si[sub2]O[sub5](OH)[sub4], monoclinic Cc, a = 5.161(3), b = 8.960(6), c = 14.459(10) Å, β = 96.77(1)°], occurring under hydrostatic compression above 2.0 GPa, has been studied using single-crystal X-ray diffraction and diamond-anvil cell techniques. The structure of the high-pressure phase, determined in situ, is monoclinic with space group Cc with unit-cell parameters a = 5.082(3), b = 8.757(6), c = 13.771 (9) Å, and β = 89.60(2)° at 4.1 GPa. The positions of all hydrogen atoms at both ambient and high pressure have been determined by a combination of simulated annealing and energy minimization. The mechanism of the transformation, which may be general for other hydrous layered materials, involves a shift of the 1:1 layers with respect to each other by the vector [1/6, 1/6, 0] and is accompanied by the formation of new hydrogen bonds. [ABSTRACT FROM AUTHOR]

Describes an experimental study of site-specific thermodynamic properties of hydration of the W1 and W5 sites in laumonite that allows predictions of water site occupancies and the water content of laumonite at elevated temperatures and pressures. Background to the study; Methods; Results and analyses; Discussion.

Presents information on a study which evaluated the response of the laumontite crystal structure to hydration/dehydration using Rietveld refinements with x-ray diffraction data collected. Crystal chemical background; Experimental setup; Rietveld refinements; Results and discussion.

Reports on the hydration, expansion, structure and dynamics of layered double hydroxides. Effects of hydration state on the structure and dynamical behavior of interlayer and surface anions; Factors controlling the expansion behavior of layered double hydroxides; Interpretation of sorption isotherms.