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  • 1
    Description / Table of Contents: The review chapters in this volume were the basis for a short course on molecular modeling theory jointly sponsored by the Geochemical Society (GS) and the Mineralogical Society of America (MSA) May 18-20, 2001 in Roanoke, Virginia which was held prior to the 2001 Goldschmidt Conference in nearby Hot Springs, Virginia. Dr. William C. Luth has had a long and distinguished career in research, education and in the government. He was a leader in experimental petrology and in training graduate students at Stanford University. His efforts at Sandia National Laboratory and at the Department of Energy's headquarters resulted in the initiation and long-term support of many of the cutting edge research projects whose results form the foundations of these short courses. Bill's broad interest in understanding fundamental geochemical processes and their applications to national problems is a continuous thread through both his university and government career. He retired in 1996, but his efforts to foster excellent basic research, and to promote the development of advanced analytical capabilities gave a unique focus to the basic research portfolio in Geosciences at the Department of Energy. He has been, and continues to be, a friend and mentor to many of us. It is appropriate to celebrate his career in education and government service with this series of courses in cutting-edge geochemistry that have particular focus on Department of Energy-related science, at a time when he can still enjoy the recognition of his contributions. Molecular modeling methods have become important tools in many areas of geochemical and mineralogical research. Theoretical methods describing atomistic and molecular-based processes are now commonplace in the geosciences literature and have helped in the interpretation of numerous experimental, spectroscopic, and field observations. Dramatic increases in computer power-involving personal computers, workstations, and massively parallel supercomputers-have helped to increase our knowledge of the fundamental processes in geochemistry and mineralogy. All researchers can now have access to the basic computer hardware and molecular modeling codes needed to evaluate these processes. The purpose of this volume of Reviews in Mineralogy and Geochemistry is to provide the student and professional with a general introduction to molecular modeling methods and a review of various applications of the theory to problems in the geosciences. Molecular mechanics methods that are reviewed include energy minimization, lattice dynamics, Monte Carlo methods, and molecular dynamics. Important concepts of quantum mechanics and electronic structure calculations, including both molecular orbital and density functional theories, are also presented. Applications cover a broad range of mineralogy and geochemistry topics-from atmospheric reactions to fluid-rock interactions to properties of mantle and core phases. Emphasis is placed on the comparison of molecular simulations with experimental data and the synergy that can be generated by using both approaches in tandem. We hope the content of this review volume will help the interested reader to quickly develop an appreciation for the fundamental theories behind the molecular modeling tools and to become aware of the limits in applying these state-of-the-art methods to solve geosciences problems.
    Pages: Online-Ressource (XII, 531 Seiten)
    ISBN: 9780939950546
    Language: English
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  • 2
    Description / Table of Contents: Micas are among the most common minerals in the Earth crust: 4.5% by volume. They are widespread in most if not all metamorphic rocks (abundance: 11%), and common also in sediment and sedimentary and igneous rocks. Characteristically, micas form in the uppermost greenschist facies and remain stable to the lower crust, including anatectic rocks (the only exception: granulite facies racks). Moreover, some micas are stable in sediments and diagenetic rocks and crystallize in many types of lavas. In contrast, they are also present in association with minerals originating from the very deepest parts of the mantle—they are the most common minerals accompanying diamond in kimberlites. The number of research papers dedicated to micas is enormous, but knowledge of them is limited and not as extensive as that of other rock-forming minerals, for reasons mostly relating to their complex layer texture that makes obtaining crystals suitable for careful studies with the modern methods time-consuming, painstaking work. Micas were reviewed extensively in 1984 (Reviews in Mineralogy 13, S.W. Bailey, editor). At that time, “Micas” volume …
    Pages: Online-Ressource (XII, 499 Seiten)
    ISBN: 0939950588
    Language: English
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  • 3
    Unknown
    Washington, DC : Mineralogical Society of America
    Description / Table of Contents: In the two decades since J. Alexander Speer's Zircon chapter in Orthosilicates (Reviews in Mineralogy, Vol. 5), much has been learned about the internal textures, trace-element and isotope geochemistry (both radiogenic and stable) and chemical and mechanical stability of zircon. The application of this knowledge and the use of zircon in geologic studies have become widespread. Today, the study of zircon exists as the pseudo-discipline of "zirconology" that involves materials scientists and geoscientists from across a range of sub-disciplines including stable and radiogenic isotopes, sedimentology, petrology, trace elements and experimental mineralogy. Zirconology has become an important field of research, so much so that coverage of the mineral zircon in a review volume that included zircon as one of many accessory minerals would not meet the needs or interests of the zirconology community in terms of depth or breadth of coverage. The sixteen chapters in this volume cover the most important aspects of zircon-related research over the past twenty-years and highlight possible future research avenues. Finch and Hanchar (Chapter 1) review the structure of zircon and other mineral (and synthetic) phases with the zircon structure. In most rock types where zircon occurs it is a significant host of the rare-earth elements, Th and U. The abundances of these elements and the form of chondrite-normalized rare-earth element patterns may provide significant information on the processes that generate igneous and metamorphic rocks. The minor and trace element compositions of igneous, metamorphic and hydrothermal zircons are reviewed by Hoskin and Schaltegger in Chapter 2. The investigation of melt inclusions in zircon is an exciting line of new research. Trapped melt inclusions can provide direct information of the trace element and isotopic composition of the melt from which the crystal formed as a function of time throughout the growth of the crystal. Thomas et a!. (Chapter 3) review the study of melt inclusions in zircon. Hanchar and Watson (Chapter 4) review experimental and natural studies of zircon saturation and the use of zircon saturation thermometry for natural rocks. Cation diffusion and oxygen diffusion in zircon is discussed by Cherniak and Watson (Chapter 5). Diffusion studies are essential for providing constraints on the quality of trace element and isotope data and for providing estimates of temperature exposure in geological environments. Zircon remains the most widely utilized accessory mineral for U- Th-Pb isotope geochronology. Significant instrumental and analytical developments over the past thirty years mean that zircon has an essential role in early Achaean studies, magma genesis, and astrobiology. Four chapters are devoted to different aspects of zircon geochronology. The first of these four, Chapter 6 by Davis et a!., reviews the historical development of zircon geochronology from the mid-1950s to the present; the following three chapters focus on particular techniques for zircon geochronology, namely ID-TIMS (Parrish and Noble, Chapter 7), SIMS (Ireland and Williams, Chapter 8) and ICP-MS (Kosier and Sylvester, Chapter 9). The application of zircon chronology in constraining sediment provenance.and the calibration ofthe geologic time-scale are reviewed by Fedo et al. (Chapter 10) and Bowring and Schmitz (Chapter 11), respectively. Other isotopic systematics are reviewed for zircon by Kinny and Maas (Chapter 12), who discuss the application of Nd-Sm and Lu-Hf isotopes in zircon to petrogenetic studies, and by Valley (Chapter 13), who discusses the importance of oxygen isotopic studies in traditional and emerging fields of geologic study. As a host of U and Th, zircon is subject to radiation damage. Radiation damage is likely responsible for isotopic disturbance and promotes mechanical instability. There is increasing interest in both the effect of radiation damage on the zircon crystal structure and mechanisms of damage and recrystallization, as well as the structure of the damaged phase. These studies contribute to an overall understanding of how zircon may behave as a waste-form for safe disposal of radioactive waste and are discussed by Ewing et a!. (Chapter 14). The spectroscopy of zircon, both crystalline and metamict is reviewed by Nadsala et a!. (Chapter 15). The final chapter, by Corfu et al. (Chapter 16), is an atlas of internal textures of zircon. The imaging of internal textures in zircon is essential for directing the acquisition of geochemical data and to the integrity of conclusions reached once data has been collected and interpreted. This chapter, for the first time, brings into one place textural images that represent common and not so common textures reported in the literature, along with brief interpretations of their significance. There is presently no comparable atlas. It is intended that this chapter will become a reference point for future workers to compare and contrast their own images against. The chapters in this volume of Reviews in Mineralogy and Geochemistry were prepared for presentation at a Short Course, sponsored by the Mineralogical Society of America (MSA) in Freiburg, Germany, April 3-4, 2003. This preceded a joint meeting of the European Union of Geology, the American Geophysical Union and the European Geophysical Society held in Nice, France, April 6-11, 2003.
    Pages: Online-Ressource (XVIII, 500 Seiten)
    ISBN: 0939950650
    Language: English
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  • 4
    Description / Table of Contents: Exactly 100 years before the publication of this volume, the first paper which calculated the half-life for the newly discovered radioactive substance U-X (now called 234Th), was published. Now, in this volume, the editors Bernard Bourdon, Gideon Henderson, Craig Lundstrom and Simon Turner have integrated a group of contributors who update our knowledge of U-series geochemistry, offer an opportunity for non-specialists to understand its basic principles, and give us a view of the future of this active field of research. In this volume, for the first time, all the methods for determining the uranium and thorium decay chain nuclides in Earth materials are discussed. It was prepared in advance of a two-day short course (April 3-4, 2003) on U-series geochemistry, jointly sponsored by GS and MSA and presented in Paris, France prior to the joint EGS/AGU/EUG meeting in Nice. The discovery of the 238U decay chain, of course, started with the seminal work of Marie Curie in identifying and separating 226Ra. Through the work of the Curies and others, all the members of the 238U decay chain were identified. An important milestone for geochronometrists was the discovery of 230Th (called Ionium) by Bertram Boltwood, the Yale scientist who also made the first age determinations on minerals using the U-Pb dating method (Boltwood in 1906 established the antiquity of rocks and even identified a mineral from Sri Lanka-then Ceylon as having an age of 2.1 billion years!) The application of the 238U decay chain to the dating of deep sea sediments was by Piggott and Urry in 1942 using the "Ionium" method of dating. Actually they measured 222Ra (itself through 222Rn) assuming secular equilibrium had been established between 230Th and 226Ra. Although 230Th was measured in deep sea sediments by Picciotto and Gilvain in 1954 using photographic emulsions, it was not until alpha spectrometry was developed in the late 1950's that 20Th was routinely measured in marine deposits. Alpha spectrometry and gamma spectrometry became the work horses for the study of the uranium and thorium decay chains in a variety of Earth materials. These ranged from 222Rn and its daughters in the atmosphere, to the uranium decay chain nuclides in the oceanic water column, and volcanic rocks and many other systems in which either chronometry or element partitioning, were explored. Much of what we learned about the 238U, 235U and 232Th decay chain nuclides as chronometers and process indicators we owe to these seminal studies based on the measurement of radioactivity. The discovery that mass spectrometry would soon usurp many of the tasks performed by radioactive counting was in itself serendipitous. It came about because a fundamental issue in cosmochemistry was at stake. Although variation in 235U/238U had been reported for meteorites the results were easily discredited as due to analytical difficulties. One set of results, however, was published by a credible laboratory long involved in quality measurements of high mass isotopes such as the lead isotopes. The purported discovery of 235U/238U variations in meteorites, if true, would have consequences in defining the early history of the formation of the elements and the development of inhomogeneity of uranium isotopes in the accumulation of the protoplanetary materials of the Solar System. Clearly the result was too important to escape the scrutiny of falsification implicit in the way we do science. The Lunatic Asylum at Caltech under the leadership of Jerry Wasserburg took on that task. Jerry Wasserburg and Jim Chen clearly established the constancy and Earth-likeness of 235U/238U in the samplable universe. In the hands of another member of the Lunatic Asylum, Larry Edwards, the methodology was transformed into a tool for the study of the 238U decay chain in marine systems. Thus the mass spectrometric techniques developed provided an approach to measuring the U and Th isotopes in geological materials as well as cosmic materials with the same refinement and accommodation for small sample size. Soon after this discovery the harnessing of the technique to the measurement of all the U isotopes and all the Th isotopes with great precision immediately opened up the entire field of uranium and thorium decay chain studies. This area of study was formerly the poaching ground for radioactive measurements alone but now became part of the wonderful world of mass spectrometric measurements. (The same transformation took place for radiocarbon from the various radioactive counting schemes to accelerator mass spectrometry.) No Earth material was protected from this assault. The refinement of dating corals, analyzing volcanic rocks for partitioning and chronometer studies and extensions far and wide into ground waters and ocean bottom dwelling organisms has been the consequence of this innovation. Although Ra isotopes, 210Pb and 210Po remain an active pursuit of those doing radioactive measurements, many of these nuclides have also become subject to the mass spectrometric approach. In this volume, for the first time, all the methods for determining the uranium and thorium decay chain nuclides in Earth materials are discussed. The range of problems solvable with this approach is remarkable-a fitting, tribute to the Curies and the early workers who discovered them for us to use.
    Pages: Online-Ressource (XX, 656 Seiten)
    ISBN: 0939950642
    Language: English
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  • 5
    Description / Table of Contents: This volume highlights some of the frontiers in the study of plastic deformation of minerals and rocks. The research into the plastic properties of minerals and rocks had a major peak in late 1960s to early 1970s, largely stimulated by research in the laboratory of D. T. Griggs and his students and associates. It is the same time when the theory of plate tectonics was established and provided a first quantitative theoretical framework for understanding geological processes. The theory of plate tectonics stimulated the study of deformation properties of Earth materials, both in the brittle and the ductile regimes. Many of the foundations of plastic deformation of minerals and rocks were established during this period. Also, new experimental techniques were developed, including deformation apparatus for high-pressure and high-temperature conditions, electron micros-copy study of defects in minerals, and the X-ray technique of deformation fabric analysis. The field benefited greatly from materials science concepts of deformation that were introduced, including the models of point defects and their interaction with dislocations. A summary of progress is given by the volume Flow and Fracture of Rocks: The Griggs Volume, published in 1972 by the American Geophysical Union. Since then, the scope of Earth sciences has greatly expanded. Geodynamics became concerned with the Earth's deep interior where seismologists discovered heterogeneities and anisotropy at all scales that were previously thought to be typical of the crust and the upper mantle. Investigations of the solar system documented new mineral phases and rocks far beyond the Earth. Both domains have received a lot of attention from mineralogists (e.g., summarized in MSA's Reviews in Mineralogy, Volume 36, Planetary Materials and Volume 37, Ultra-High Pressure Mineralogy). Most attention was directed towards crystal chemistry and phase relations, yet an understanding of the deformation behavior is essential for interpreting the dynamic geological processes from geological and geophysical observations. This was largely the reason for a rebirth of the study of rock plasticity, leading to new approaches that include experiments at extreme conditions and modeling of deformation behavior based on physical principles. A wide spectrum of communities emerged that need to use information about mineral plasticity, including mineralogy, petrology, structural geology, seismology, geodynamics and engineering. This was the motivation to organize a workshop, in December 2002 in Emeryville, California, to bridge the very diverse disciplines and facilitate communication. This volume written for this workshop should help one to become familiar with a notoriously difficult subject, and the various contributions represent some of the important progress that has been achieved. The spectrum is broad. High-resolution tomographic images of Earth's interior obtained from seismology need to be interpreted on the bases of materials properties to understand their geodynamic significance. Key issues include the influence of deformation on seismic signatures, such as attenuation and anisotropy, and a new generation of experimental and theoretical studies on rock plasticity has contributed to a better understanding. Extensive space exploration has revealed a variety of tectonic styles on planets and their satellites, underlining the uniqueness of the Earth. To understand why plate tectonics is unique to Earth, one needs to understand the physical mechanisms of localization of deformation at various scales and under different physical conditions. Also here important theoretical and experimental studies have been conducted. In both fields, studies on anisotropy and shear localization, large-strain deformation experiments and quantitative modeling are critical, and these have become available only recently. Complicated interplay among chemical reactions (including partial melting) is a key to understand the evolution of Earth. This book contains two chapters on the developments of new techniques of experimental studies: one is large-strain shear deformation (Chapter 1 by Mackwell and Paterson) and another is deformation experiments under ultrahigh pressures (Chapter 2 by Durham et al.). Both technical developments are the results of years of efforts that are opening up new avenues of research along which rich new results are expected to be obtained. Details of physical and chemical processes of deformation in the crust and the upper mantle are much better understood through the combination of well controlled laboratory experiments with observations on "real" rocks deformed in Earth. Chapter 3 by Tullis and Chapter 4 by Hirth address the issues of deformation of crustal rocks and the upper mantle, respectively. In Chapter 5 Kohlstedt reviews the interplay of partial melting and deformation, an important subject in understanding the chemical evolution of Earth. Cordier presents in Chapter 6 an overview of the new results of ultrahigh pressure deformation of deep mantle minerals and discusses microscopic mechanisms controlling the variation of deformation mechanisms with minerals in the deep mantle. Green and Marone review in Chapter 7 the stability of deformation under deep mantle conditions with special reference to phase transformations and their relationship to the origin of intermediate depth and deep-focus earthquakes. In Chapter 8 Schulson provides a detailed description of fracture mechanisms of ice, including the critical brittle-ductile transition that is relevant not only for glaciology, planetology and engineering, but for structural geology as well. In Chapter 9 Cooper provides a review of experimental and theoretical studies on seismic wave attenuation, which is a critical element in interpreting distribution of seismic wave velocities and attenuation. Chapter 10 by Wenk reviews the relationship between crystal preferred orientation and macroscopic anisotropy, illustrating it with case studies. In Chapter 11 Dawson presents recent progress in poly-crystal plasticity to model the development of anisotropic fabrics both at the microscopic and macroscopic scale. Such studies form the basis for geodynamic interpretation of seismic anisotropy. Finally, in Chapter 12 Montagner and Guillot present a thorough review of seismic anisotropy of the upper mantle covering the vast regions of geodynamic interests, using a global surface wave data set. In Chapter 13 Bercovici and Karato summarize the theoretical aspects of shear localization. All chapters contain extensive reference lists to guide readers to the more specialized literature. Obviously this book does not cover all the areas related to plastic deformation of minerals and rocks. Important topics that are not fully covered in this book include mechanisms of semi-brittle deformation and the interplay between microstructure evolution and deformation at different levels, such as dislocation substructures and grain-size evolution ("self-organization"). However, we hope that this volume provides a good introduction for graduate students in Earth science or materials science as well as the researchers in these areas to enter this multidisciplinary field.
    Pages: Online-Ressource (XIV, 420 Seiten)
    ISBN: 0939950634
    Language: English
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  • 6
    Description / Table of Contents: PREFACE Phase transformations occur in most types of materials, including ceramics, metals, polymers, diverse organic and inorganic compounds, minerals, and even crystalline viruses. They have been studied in almost all branches of science, but particularly in physics, chemistry, engineering, materials science and earth sciences. In some cases the objective has been to produce materials in which phase transformations are suppressed, to preserve the structural integrity of some engineering product, for example, while in other cases the objective is to maximise the effects of a transformation, so as to enhance properties such as superconductivity, for example. A long tradition of studying transformation processes in minerals has evolved from the need to understand the physical and thermodynamic properties of minerals in the bulk earth and in the natural environment at its surface. The processes of interest have included magnetism, ferroelasticity, ferroelectricity, atomic ordering, radiation damage, polymorphism, amorphisation and many others—in fact there are very few minerals which show no influence of transformation processes in the critical range of pressures and temperatures relevant to the earth. As in all other areas of science, an intense effort has been made to turn qualitative under-standing into quantitative description and prediction via the simultaneous development of theory, experiments and simulations. In the last few years rather fast progress has been made in this context, largely through an inter-disciplinary effort, and it seemed to us to be timely to produce a review volume for the benefit of the wider scientific community which summarises the current state of the art. The selection of transformation processes covered here is by no means comprehensive, but represents a coherent view of some of the most important processes which occur specifically in minerals. A number of the contributors have been involved in a European Union funded research network with the same theme, under the Training and Mobility of Researchers programme, which has stimulated much of the most recent progress in some of the areas covered. This support is gratefully acknowledged.
    Pages: Online-Ressource (X, 361 Seiten)
    ISBN: 0939950510
    Language: English
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  • 7
    Unknown
    Washington, DC : Mineralogical Society of America
    Description / Table of Contents: This volume was prepared for Short Course on Stable Isotope Geochemistry presented November 2-4, 2001 in conjunction with the annual meetings of the Geological Society of America in Boston, Massachusetts. This volume follows the 1986 Reviews in Mineralogy (Vol. 16) in approach but reflects significant changes in the field of Stable Isotope Geochemistry. In terms of new technology, new sub-disciplines, and numbers of researchers, the field has changed more in the past decade than in any other since that of its birth. Unlike the 1986 volume, which was restricted to high temperature fields, this book covers a wider range of disciplines. However, it would not be possible to fit a comprehensive review into a single volume. Our goal is to provide state-ofthe-art reviews in chosen subjects that have emerged or advanced greatly since 1986. v The field of Stable Isotope Geochemistry was born of a good idea and nurtured by technology. In 1947, Harold Urey published his calculated values of reduced partition function for oxygen isotopes and his idea (a good one!) that the fractionation of oxygen isotopes between calcite and water might provide a means to estimate the temperatures of geologic events. Building on wartime advances in electronics, Alfred Nier then designed and built the dual-inlet, gassource mass-spectrometer capable of making measurements of sufficient precision and accuracy. This basic instrument and the associated extraction techniques, mostly from the 1950s, are still in use in many labs today. These techniques have become "conventional" in the sense of traditional, and they provide the benchmark against which the accuracy of other techniques is compared. The 1986 volume was based almost exclusively on natural data obtained solely from conventional techniques. Since then, revolutionary changes in sample size, accuracy, and cost have resulted from advances in continuous flow massspectrometry, laser heating, ion microprobes, and computer automation. The impact of new technology has differed by discipline. Some areas have benefited from vastly enlarged data sets, while others have capitalized on in situ analysis and/or micro- to nanogram size samples, and others have developed because formerly intractable samples can now be analyzed. Just as Stable Isotope Geochemistry is being reborn by new good ideas, it is still being nurtured by new technology. The organization of the chapters in this book follows the didactic approach of the 2001 short course in Boston. The first three chapters present the principles and data base for equilibrium isotope fractionation and for kinetic processes of exchange. Both inorganic and biological aspects are considered. The next chapter reviews isotope compositions throughout the solar system including massindependent fractionations that are increasingly being recognized on Earth. The fifth chapter covers the primitive compositions of the mantle and subtle variations found in basalts. This is followed by three chapters on metamorphism, isotope thermometry, fluid flow, and hydrothermal alteration. The next chapter considers water cycling in the atmosphere and the ice record. And finally, there are four chapters on the carbon cycle, the sulfur cycle, organic isotope geochemistry and extinctions in the geochemical record.
    Pages: Online-Ressource (XIV, 662 Seiten)
    ISBN: 9780939950553
    Language: English
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  • 8
    Description / Table of Contents: The first half-century of X-ray crystallography, beginning with the elucidation of the sodium chloride structure in 1914, was devoted principally to the determination of increasingly complex atomic topologies at ambient conditions. The pioneering work of the Braggs, Pauling, Wyckoff, Zachariasen and many other investigators revealed the structural details and underlying crystal chemical principles for most rock-forming minerals (see, for example, Crystallography in North America, edited by D. McLachlan and J. P. Glusker, NY, American Crystallographic Association, 1983). These studies laid the crystallographic foundation for modem mineralogy. The past three decades have seen a dramatic expansion of this traditional crystallographic role to the study of the relatively subtle variations of crystal structure as a function of temperature, pressure, or composition. Special sessions on "High temperature crystal chemistry" were first held at the Spring Meeting of the American Geophysical Union (April 19, 1972) and the Ninth International Congress of Crystallography (August 30, 1972). The Mineralogical Society of America subsequently published a special 11-paper section of American Mineralogist entitled "High Temperature Crystal Chemistry," which appeared as Volume 58, Numbers 5 and 6, Part I in July-August, 1973. The first complete three-dimensional structure refinements of minerals at high pressure were completed in the same year on calcite (Merrill and Bassett, Acta Crystallographica B31, 343-349, 1975) and on gillespite (Hazen and Burnham, American Mineralogist 59, 1166-1176, 1974). Rapid advances in the field of non-ambient crystallography prompted Hazen and Finger to prepare the monograph Comparative Crystal Chemistry: Temperature, Pressure, Composition and the Variation of Crystal Structure (New York: Wiley, 1982). At the time, only about 50 publications documenting the three-dimensional variation of crystal structures at high temperature or pressure had been published, though general crystal chemical trends were beginning to emerge. That work, though increasingly out of date, remained in print until recently as the only comprehensive overview of experimental techniques, data analysis, and results for this crystallographic sub-discipline. This Reviews in Mineralogy and Geochemistry volume was conceived as an updated version of Comparative Crystal Chemistry. A preliminary chapter outline was drafted at the Fall 1998 American Geophysical Union meeting in San Francisco by Ross Angel, Robert Downs, Larry Finger, Robert Hazen, Charles Prewitt and Nancy Ross. In a sense, this volume was seen as a "changing of the guard" in the study of crystal structures at high temperature and pressure. Larry Finger retired from the Geophysical Laboratory in July, 1999, at which time Robert Hazen had shifted his research focus to mineral-mediated organic synthesis. Many other scientists, including most of the authors in this volume, are now advancing the field by expanding the available range of temperature and pressure, increasing the precision and accuracy of structural refinements at non-ambient conditions, and studying ever more complex structures. The principal objective of this volume is to serve as a comprehensive introduction to the field of high-temperature and high-pressure crystal chemistry, both as a guide to the dramatically improved techniques and as a summary of the voluminous crystal chemical literature on minerals at high temperature and pressure. The book is largely tutorial in style and presentation, though a basic knowledge of X-ray crystallographic techniques and crystal chemical principles is assumed. The book is divided into three parts. Part I introduces crystal chemical considerations of special relevance to non-ambient crystallographic studies. Chapter 1 treats systematic trends in the variation of structural parameters, including bond distances, cation coordination, and order-disorder with temperature and pressure, while Chapter 2 considers P-V-T equation-of-state formulations relevant to x-ray structure data. Chapter 3 reviews the variation of thermal displacement parameters with temperature and pressure. Chapter 4 describes a method for producing revealing movies of structural variations with pressure, temperature or composition, and features a series of "flip-book" animations. These animations and other structural movies are also available as a supplement to this volume on the Mineralogical Society of America web site at (http://www.minsocam.orgIMSAlRimlRim41.html). Part II reviews the temperature- and pressure-variation of structures in major mineral groups. Chapter 5 presents crystal chemical systematics of high-pressure silicate structures with six-coordinated silicon. Subsequent chapters highlight temperature- and pressure variations of dense oxides (Chapter 6), orthosilicates (Chapter 7), pyroxenes and other chain silicates (Chapter 8), framework and other rigid-mode structures (Chapter 9), and carbonates (Chapter 10). Finally, the variation of hydrous phases and hydrogen bonding are reviewed in Chapter 11, while molecular solids are summarized in Chapter 12. Part III presents experimental techniques for high-temperature and high-pressure studies of single crystals (Chapters 13 and 14, respectively) and polycrystalline samples (Chapter 15). Special considerations relating to diffractometry on samples at non-ambient conditions are treated in Chapter 16. Tables in these chapters list sources for relevant hardware, including commercially available furnaces and diamond-anvil cells. Crystallographic software packages, including diffractometer operating systems, have been placed on the Mineralogical Society web site for this volume. This volume is not exhaustive and opportunities exist for additional publications that review and summarize research on other mineral groups. A significant literature on the high-temperature and high-pressure structural variation of sulfides, for example, is not covered here. Also missing from this compilation are references to a variety of studies of halides, layered oxide superconductors, metal alloys, and a number of unusual silicate structures.
    Pages: Online-Ressource (IX, 597 Seiten)
    ISBN: 9780939950539
    Language: English
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  • 9
    Description / Table of Contents: Several years ago, John Rakovan and John Hughes (colleagues at Miami of Ohio), and later Matt Kohn (at South Carolina), separately proposed short courses on phosphate minerals to the Council of the Mineralogical Society of America (MSA). Council suggested that they join forces. Thus this volume, Phosphates: Geochemical, Geobiological, and Materials Importance, was organized. It was prepared in advance of a short course of the same title, sponsored by MSA and presented at Golden, Colorado, October 25-27. We are pleased to present this volume entitled Phosphates: Geochemical, Geobiological and Materials Importance. Phosphate minerals are an integral component of geological and biological systems. They are found in virtually all rocks, are the major structural component of vertebrates, and when dissolved are critical for biological activity. This volume represents the work of many authors whose research illustrates how the unique chemical and physical behavior of phosphate minerals permits a wide range of applications that encompasses phosphate mineralogy, petrology, biomineralization, geochronology, and materials science. While diverse, these fields are all linked structurally, crystal-chemically and geochemically. As geoscientists turn their attention to the intersection of the biological, geological, and material science realms, there is no group of compounds more germane than the phosphates. The chapters of this book are grouped into five topics: Mineralogy and Crystal Chemistry, Petrology, Biomineralization, Geochronology, and Materials Applications. In the first section, three chapters are devoted to mineralogical aspects of apatite, a phase with both inorganic and organic origins, the most abundant phosphate mineral on earth, and the main mineral phase in the human body. Monazite and xenotime are highlighted in a fourth chapter, which includes their potential use as solid-state radioactive waste repositories. The Mineralogy and Crystal Chemistry section concludes with a detailed examination of the crystal chemistry of 244 other naturally-occurring phosphate phases and a listing of an additional 126 minerals. In the Petrology section, three chapters detail the igneous, metamorphic, and sedimentary aspects of phosphate minerals. A fourth chapter provides a close look at analyzing phosphates for major, minor, and trace elements using the electron microprobe. A final chapter treats the global geochemical cycling of phosphate, a topic of intense, current geochemical interest. The Biomineralization section begins with a summary of the current state of research on bone, dentin and enamel phosphates, a topic that crosses disciplines that include mineralogical, medical, and dental research. The following two chapters treat the stable isotope and trace element compositions of modern and fossil biogenic phosphates, with applications to paleontology, paleoclimatology, and paleoecology. The Geochronology section focuses principally on apatite and monazite for U-ThPb, (U- Th)/He, and fission-track age determinations; it covers both classical geochronologic techniques as well as recent developments. The final section-Materials Applications-highlights how phosphate phases play key roles in fields such as optics, luminescence, medical engineering and prosthetics, and engineering of radionuclide repositories. These chapters provide a glimpse of the use of natural phases in engineering and biomedical applications and illustrate fruitful areas of future research in geochemical, geobiological and materials science. We hope all chapters in this volume encourage researchers to expand their work on all aspects of natural and synthetic phosphate compounds.
    Pages: Online-Ressource (XVI, 742 Seiten)
    ISBN: 093995060X
    Language: English
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    Description / Table of Contents: This volume was produced in response to the need for a comprehensive introduction to the continually evolving state of the art of synchrotron radiation applications in low-temperature geochemistry and environmental science. It owes much to the hard work and imagination of the devoted cadre of sleep-deprived individuals who blazed a trail that many others are beginning to follow. Synchrotron radiation methods have opened new scientific vistas in the earth and environmental sciences, and progress in this direction will undoubtedly continue. The organization of this volume is as follows. Chapter 1 (Brown and Sturchio) gives a fairly comprehensive overview of synchrotron radiation applications in low temperature geochemistry and environmental science. The presentation is organized by synchrotron methods and scientific issues. It also has an extensive reference list that should prove valuable as a starting point for further research. Chapter 2 (Sham and Rivers) describes the ways that synchrotron radiation is generated, including a history of synchrotrons and a discussion of aspects of synchrotron radiation that are important to the experimentalist. The remaining chapters of the volume are organized into two groups. Chapters 3 through 6 describe specific synchrotron methods that are most useful for single-crystal surface and mineral-fluid interface studies. Chapters 7 through 9 describe methods that can be used more generally for investigating complex polyphase fine-grained or amorphous materials, including soils, rocks, and organic matter. Chapter 3 (Fenter) presents the elementary theory of synchrotron X-ray reflectivity along with examples of recent applications, with emphasis on in situ studies of mineral-fluid interfaces. Chapter 4 (Bedzyk and Cheng) summarizes the theory of X-ray standing waves (XSW), the various methods for using XSW in surface and interfaces studies, and gives a brief review of recent applications in geochemistry and mineralogy. Chapter 5 (Waychunas) covers the theory and applications of grazing-incidence X-ray absorption and emission spectroscopy, with recent examples of studies at mineral surfaces. Chapter 6 (Hirschmugl) describes the theory and applications of synchrotron infrared microspectroscopy. Chapter 7 (Manceau, Marcus, and Tamura) gives background and examples of the combined application of synchrotron X-ray microfluorescence, microdiffraction, and microabsorption spectroscopy in characterizing the distribution and speciation of metals in soils and sediments. Chapter 8 (Sutton, Newville, Rivers, Lanzirotti, Eng, and Bertsch) demonstrates a wide variety of applications of synchrotron X-ray microspectroscopy and microtomography in characterizing earth and environmental materials and processes. Finally, Chapter 9 (Myneni) presents a review of the principles and applications of soft X-ray microspectroscopic studies of natural organic materials. All of these chapters review the state of the art of synchrotron radiation applications in low temperature geochemistry and environmental science, and offer speculations on future developments. The reader of this volume will acquire an appreciation of the theory and applications of synchrotron radiation in low temperature geochemistry and environmental science, as well as the significant advances that have been made in this area in the past two decades (especially since the advent of the third-generation synchrotron sources). We hope that this volume will inspire new users to "see the light" and pursue their research using the potent tool of synchrotron radiation.
    Pages: Online-Ressource (XXII, 579 Seiten)
    ISBN: 0939950618
    Language: English
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