Articles | Volume 33, issue 1
https://doi.org/10.5194/ejm-33-113-2021
© Author(s) 2021. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/ejm-33-113-2021
© Author(s) 2021. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
A combined Fourier transform infrared and Cr K-edge X-ray absorption near-edge structure spectroscopy study of the substitution and diffusion of H in Cr-doped forsterite
Michael C. Jollands
CORRESPONDING AUTHOR
Research School of Earth Sciences, Australian National University,
Canberra, ACT 2601, Australia
current address: Lamont-Doherty Earth Observatory, Columbia University, 61 Rt 9W,
Palisades, New York 10964, USA
Hugh St.C. O'Neill
Research School of Earth Sciences, Australian National University,
Canberra, ACT 2601, Australia
Andrew J. Berry
Research School of Earth Sciences, Australian National University,
Canberra, ACT 2601, Australia
Charles Le Losq
Université de Paris, Institut de Physique du Globe de Paris, UMR
7154 CNRS, 75005, Paris, France
Camille Rivard
European Synchrotron Radiation Facility, 71 Avenue des Martyrs, 38000
Grenoble, France
current address: SOLEIL Synchrotron, L'Orme des Merisiers, Gif-sur-Yvette, 91192
Saint-Aubin, France
current address: INRAE, TRANSFORM, 44316 Nantes, France
Jörg Hermann
Research School of Earth Sciences, Australian National University,
Canberra, ACT 2601, Australia
current address: Institute of Geology, University of Bern, Baltzerstrasse 1+3, 3012
Bern, Switzerland
Related authors
Michael C. Jollands, Shiyun Jin, Martial Curti, Maxime Guillaumet, Keevin Béneut, Paola Giura, and Etienne Balan
Eur. J. Mineral., 35, 873–890, https://doi.org/10.5194/ejm-35-873-2023, https://doi.org/10.5194/ejm-35-873-2023, 2023
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The infrared spectrum of hydrous defects in corundum is routinely used in gemology, but the assignment of absorption bands to specific defects remains elusive. Here, we theoretically study selected defects and compare the results with available experimental data. The main results are the assignment of the
3161 cm−1 seriesto OH groups associated with Fe2+ ions and the interpretation of bands below 2700 cm−1 in corundum containing divalent cations in terms of overtones of OH bending modes.
Michael C. Jollands, Marc Blanchard, and Etienne Balan
Eur. J. Mineral., 32, 311–323, https://doi.org/10.5194/ejm-32-311-2020, https://doi.org/10.5194/ejm-32-311-2020, 2020
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Quartz is a very common form of almost pure silica. It can contain a small concentration of hydrogen-bearing defects whose nature is still debated. Here, we use a theoretical approach to unravel the atomic-scale geometry of these defects. Our findings help explain some important quartz properties.
Michael C. Jollands, Shiyun Jin, Martial Curti, Maxime Guillaumet, Keevin Béneut, Paola Giura, and Etienne Balan
Eur. J. Mineral., 35, 873–890, https://doi.org/10.5194/ejm-35-873-2023, https://doi.org/10.5194/ejm-35-873-2023, 2023
Short summary
Short summary
The infrared spectrum of hydrous defects in corundum is routinely used in gemology, but the assignment of absorption bands to specific defects remains elusive. Here, we theoretically study selected defects and compare the results with available experimental data. The main results are the assignment of the
3161 cm−1 seriesto OH groups associated with Fe2+ ions and the interpretation of bands below 2700 cm−1 in corundum containing divalent cations in terms of overtones of OH bending modes.
Julien Reynes, Jörg Hermann, Pierre Lanari, and Thomas Bovay
Eur. J. Mineral., 35, 679–701, https://doi.org/10.5194/ejm-35-679-2023, https://doi.org/10.5194/ejm-35-679-2023, 2023
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Garnet is a high-pressure mineral that may incorporate very small amounts of water in its structure (tens to hundreds of micrograms per gram H2O). In this study, we show, based on analysis and modelling, that it can transport up to several hundred micrograms per gram of H2O at depths over 80 km in a subduction zone. The analysis of garnet from the various rock types present in a subducted slab allowed us to estimate the contribution of garnet in the deep cycling of water in the earth.
Mona Lueder, Renée Tamblyn, and Jörg Hermann
Eur. J. Mineral., 35, 243–265, https://doi.org/10.5194/ejm-35-243-2023, https://doi.org/10.5194/ejm-35-243-2023, 2023
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Although rutile does not have water in its chemical formula, it can contain trace amounts. We applied a new measurement protocol to study water incorporation into rutile from eight geological environments. H2O in natural rutile can be linked to six crystal defects, most importantly to Ti3+ and Fe3+. Quantifying the H2O in the individual defects can help us understand relationships of trace elements in rutile and might give us valuable information on the conditions under which the rock formed.
Michael C. Jollands, Marc Blanchard, and Etienne Balan
Eur. J. Mineral., 32, 311–323, https://doi.org/10.5194/ejm-32-311-2020, https://doi.org/10.5194/ejm-32-311-2020, 2020
Short summary
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Quartz is a very common form of almost pure silica. It can contain a small concentration of hydrogen-bearing defects whose nature is still debated. Here, we use a theoretical approach to unravel the atomic-scale geometry of these defects. Our findings help explain some important quartz properties.
Alice Vho, Pierre Lanari, Daniela Rubatto, and Jörg Hermann
Solid Earth, 11, 307–328, https://doi.org/10.5194/se-11-307-2020, https://doi.org/10.5194/se-11-307-2020, 2020
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This study presents an approach that combines equilibrium thermodynamic modelling with oxygen isotope fractionation modelling for investigating fluid–rock interaction in metamorphic systems. An application to subduction zones shows that chemical and isotopic zoning in minerals can be used to determine feasible fluid sources and the conditions of interaction. Slab-derived fluids can cause oxygen isotope variations in the mantle wedge that may result in anomalous isotopic signatures of arc lavas.
Related subject area
Experimental petrology
Chemical interdiffusion between Na-series tephritic and phonolitic melts with different H2O content, temperature, and oxygen fugacity values
Re-equilibration of quartz inclusions in garnet
H2 mobility and redox control in open vs. closed hydrothermal oceanic systems – evidence from serpentinization experiments
A brief history of solid inclusion piezobarometry
Li–Na interdiffusion and diffusion-driven lithium isotope fractionation in pegmatitic melts
Depth profile analyses by femtosecond laser ablation (multicollector) inductively coupled plasma mass spectrometry for resolving chemical and isotopic gradients in minerals
A revised model for activity–composition relations in solid and molten FePt alloys and a preliminary model for characterization of oxygen fugacity in high-pressure experiments
Elasticity of mixtures and implications for piezobarometry of mixed-phase inclusions
In situ single-crystal X-ray diffraction of olivine inclusion in diamond from Shandong, China: implications for the depth of diamond formation
One-atmosphere high-temperature CO–CO2–SO2 gas-mixing furnace: design, operation, and applications
CO2 diffusion in dry and hydrous leucititic melt
Melting relations of Ca–Mg carbonates and trace element signature of carbonate melts up to 9 GPa – a proxy for melting of carbonated mantle lithologies
High-pressure homogenization of olivine-hosted CO2-rich melt inclusions in a piston cylinder: insight into the volatile content of primary mantle melts
Carbon-saturated COH fluids in the upper mantle: a review of high-pressure and high-temperature ex situ experiments
The influence of oxygen fugacity and chlorine on amphibole–liquid trace element partitioning at upper-mantle conditions
Effect of chlorine on water incorporation in magmatic amphibole: experimental constraints with a micro-Raman spectroscopy approach
Grain boundary diffusion and its relation to segregation of multiple elements in yttrium aluminum garnet
Melting relations of anhydrous olivine-free pyroxenite Px1 at 2 GPa
Breyite inclusions in diamond: experimental evidence for possible dual origin
Diego González-García, Florian Pohl, Felix Marxer, Stepan Krasheninnikov, Renat Almeev, and François Holtz
Eur. J. Mineral., 36, 623–640, https://doi.org/10.5194/ejm-36-623-2024, https://doi.org/10.5194/ejm-36-623-2024, 2024
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We studied the exchange of chemical elements by diffusion between magmas of tephritic and phonolitic composition from the Canary Islands, performing experiments at high pressure and high temperature with different amounts of added water. Our results characterize the way water and temperature affect the diffusion process, and we also find unexpectedly high mobility of aluminium, which may be related to its variable chemical bonding in highly alkaline melts.
Benjamin A. Pummell and Jay B. Thomas
Eur. J. Mineral., 36, 581–597, https://doi.org/10.5194/ejm-36-581-2024, https://doi.org/10.5194/ejm-36-581-2024, 2024
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Mechanical interaction between quartz inclusions in garnet creates residual pressure in the inclusion used to calculate the pressure and temperature where the two minerals formed. We crystallised quartz and garnet at high pressure and temperature and then adjusted the experimental pressure to observe the interaction between the quartz inclusions and garnet host. The quartz and garnet adjust to the new experimental pressures, reset inclusion pressures, and no longer match entrapment conditions.
Colin Fauguerolles, Teddy Castelain, Johan Villeneuve, and Michel Pichavant
Eur. J. Mineral., 36, 555–579, https://doi.org/10.5194/ejm-36-555-2024, https://doi.org/10.5194/ejm-36-555-2024, 2024
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To explore the influence of the redox state of the environment on the serpentinization reaction, we have developed an original experimental setup. Reducing conditions, leading to the formation of serpentine and magnetite, and oxidizing conditions, leading to the formation of serpentine and hematite, are discussed in terms of analogues of low- and high-permeability hydrothermal systems, respectively. The influence of the redox on brucite stability and hydrogen production is also established.
Ross J. Angel, Matteo Alvaro, and Silvio Ferrero
Eur. J. Mineral., 36, 411–415, https://doi.org/10.5194/ejm-36-411-2024, https://doi.org/10.5194/ejm-36-411-2024, 2024
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Inclusions in natural rocks are an invaluable asset for geoscientists because they provide information about processes in the Earth's history that are otherwise hidden or subsequently overprinted. In this paper we review the development over the last 200 years of the concepts and methods to measure the remnant pressures in mineral inclusions and how they can be used to determine pressures and temperatures at which the inclusions were formed deep within the Earth.
Christian R. Singer, Harald Behrens, Ingo Horn, Martin Oeser, Ralf Dohmen, and Stefan Weyer
Eur. J. Mineral., 35, 1009–1026, https://doi.org/10.5194/ejm-35-1009-2023, https://doi.org/10.5194/ejm-35-1009-2023, 2023
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Li is a critical element that is often enriched in pegmatites. To better understand the enrichment of Li in such systems, it is necessary to understand the underlying transport mechanisms. We performed experiments to investigate diffusion rates and exchange mechanisms of Li between a Li-rich and a Li-poor melt at high temperature and pressure. Our results indicate that fluxing elements do not increase the diffusivity of Li compared to a flux-free melt.
Martin Oeser, Ingo Horn, Ralf Dohmen, and Stefan Weyer
Eur. J. Mineral., 35, 813–830, https://doi.org/10.5194/ejm-35-813-2023, https://doi.org/10.5194/ejm-35-813-2023, 2023
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This study presents a new method designed to analyze micrometer-scale chemical and isotopic profiles in minerals, glasses, and other solids. The employed technique combines plasma mass spectrometers and a state-of-the-art femtosecond laser equipped with open-source software (LinuxCNC) that controls the movement of the laser beam. It allows for equably drilling into the sample surface, e.g., in order to measure chemically or isotopically zoned or heterogeneous materials at micrometer scales.
Marc M. Hirschmann and Hongluo L. Zhang
Eur. J. Mineral., 35, 789–803, https://doi.org/10.5194/ejm-35-789-2023, https://doi.org/10.5194/ejm-35-789-2023, 2023
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We calibrate new models for the properties of solid and liquid FePt alloy. FePt alloy is used in experiments investigating the origin, differentiation, and evolution of planets to characterize oxygen fugacity. The new models facilitate use of FePt for more extreme conditions than has been possible previously. We also describe shortcomings in the present knowledge of FePt alloy properties and highlight strategies that could improve such knowledge.
Ross J. Angel, Mattia L. Mazzucchelli, Kira A. Musiyachenko, Fabrizio Nestola, and Matteo Alvaro
Eur. J. Mineral., 35, 461–478, https://doi.org/10.5194/ejm-35-461-2023, https://doi.org/10.5194/ejm-35-461-2023, 2023
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We have developed the thermodynamic theory of the properties of inclusions consisting of more than one phase, including inclusions containing solids plus a fluid. We present a software utility that enables for the first time the entrapment conditions of multiphase inclusions to be determined from the measurement of their internal pressure when that is measured in a laboratory.
Yanjuan Wang, Fabrizio Nestola, Huaikun Li, Zengqian Hou, Martha G. Pamato, Davide Novella, Alessandra Lorenzetti, Pia Antonietta Antignani, Paolo Cornale, Jacopo Nava, Guochen Dong, and Kai Qu
Eur. J. Mineral., 35, 361–372, https://doi.org/10.5194/ejm-35-361-2023, https://doi.org/10.5194/ejm-35-361-2023, 2023
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In this work we have applied the elastic geobarometry approach to a Chinese diamond in order to determine the depth of formation of an olivine-bearing diamond. Together with the temperature of residence at which the diamond resided in the mantle, we were able to discover that the diamond was formed at about 190 km depth. Beyond the geological meaning of our results, this work could be a reference paper for future works on Chinese diamonds using elastic geobarometry.
Shashank Prabha-Mohan, Kenneth T. Koga, Antoine Mathieu, Franck Pointud, and Diego F. Narvaez
Eur. J. Mineral., 35, 321–331, https://doi.org/10.5194/ejm-35-321-2023, https://doi.org/10.5194/ejm-35-321-2023, 2023
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This work presents an in-depth description of a new design for a high-temperature gas-mixing furnace using a mixture of CO–CO2–SO2. It has been designed and built with user safety in mind. The furnace can sustain temperatures of up to 1650 °C. This furnace sets itself apart with its size and unique quench mechanism. Crucially, the apparatus has the ability to change the gas mixture during an experiment. This feature allows the user to simulate natural environments, such as volcanoes.
Lennart Koch and Burkhard C. Schmidt
Eur. J. Mineral., 35, 117–132, https://doi.org/10.5194/ejm-35-117-2023, https://doi.org/10.5194/ejm-35-117-2023, 2023
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Volatile diffusivities in silicate melts control the nucleation and growth of bubbles in ascending magma. We investigated the diffusion of CO2 in an anhydrous and hydrous leucititic melt at high temperatures and high pressure. CO2 diffusion profiles were measured via attenuated total reflection Fourier transform infrared spectroscopy. CO2 diffusion increases with increasing temperature and water content. The data can be used to understand the CO2 degassing behaviour of leucititic melts.
Melanie J. Sieber, Max Wilke, Oona Appelt, Marcus Oelze, and Monika Koch-Müller
Eur. J. Mineral., 34, 411–424, https://doi.org/10.5194/ejm-34-411-2022, https://doi.org/10.5194/ejm-34-411-2022, 2022
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Carbonates reduce the melting point of the mantle, and carbonate melts produced in low-degree melting of a carbonated mantle are considered the precursor of CO2-rich magmas. We established experimentally the melting relations of carbonates up to 9 GPa, showing that Mg-carbonates melt incongruently to periclase and carbonate melt. The trace element signature of carbonate melts parental to kimberlites is approached by melting of Mg-rich carbonates.
Roxane Buso, Didier Laporte, Federica Schiavi, Nicolas Cluzel, and Claire Fonquernie
Eur. J. Mineral., 34, 325–349, https://doi.org/10.5194/ejm-34-325-2022, https://doi.org/10.5194/ejm-34-325-2022, 2022
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Magmas transport large amounts of CO2 from Earth's mantle into the atmosphere and thus contribute significantly to the global carbon cycle. We have developed an experimental method to homogenize at high pressure small liquid droplets trapped in magmatic crystals to gain access to the initial composition of the parental magma (major and volatile elements). With this technique, we show that magmas produced by melting of the subcontinental mantle contain several weight percent of CO2.
Carla Tiraboschi, Francesca Miozzi, and Simone Tumiati
Eur. J. Mineral., 34, 59–75, https://doi.org/10.5194/ejm-34-59-2022, https://doi.org/10.5194/ejm-34-59-2022, 2022
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This review provides an overview of ex situ carbon-saturated COH fluid experiments at upper-mantle conditions. Several authors experimentally investigated the effect of COH fluids. However, fluid composition is rarely tackled as a quantitative issue, and rather infrequently fluids are analyzed as the associated solid phases in the experimental assemblage. Recently, improved techniques have been proposed for analyses of COH fluids, leading to significant advancement in fluid characterization.
Enrico Cannaò, Massimo Tiepolo, Giulio Borghini, Antonio Langone, and Patrizia Fumagalli
Eur. J. Mineral., 34, 35–57, https://doi.org/10.5194/ejm-34-35-2022, https://doi.org/10.5194/ejm-34-35-2022, 2022
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Amphibole–liquid partitioning of elements of geological relevance is experimentally derived at conditions compatible with those of the Earth's upper mantle. Experiments are carried out at different oxygen fugacity conditions and variable Cl content in order to investigate their influence on the amphibole–liquid partition coefficients. Our results point to the capability of amphibole to act as filter for trace elements at upper-mantle conditions, oxidized conditions, and Cl-rich environments.
Enrico Cannaò, Federica Schiavi, Giulia Casiraghi, Massimo Tiepolo, and Patrizia Fumagalli
Eur. J. Mineral., 34, 19–34, https://doi.org/10.5194/ejm-34-19-2022, https://doi.org/10.5194/ejm-34-19-2022, 2022
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Detailed knowledge of the mechanisms ruling water incorporation in amphibole is essential to understand how much water can be fixed at upper-mantle conditions by this mineral. We provide the experimental evidence of the Cl effect on the oxo-substitution and the incorporation of water in amphibole. Finally, we highlight the versatility of confocal micro-Raman spectroscopy as an analytical tool to quantify water in amphibole.
Joana Polednia, Ralf Dohmen, and Katharina Marquardt
Eur. J. Mineral., 32, 675–696, https://doi.org/10.5194/ejm-32-675-2020, https://doi.org/10.5194/ejm-32-675-2020, 2020
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Grain boundary diffusion is orders of magnitude faster compared to volume diffusion. We studied this fast transport process in a well-defined garnet grain boundary. State-of-the-art microscopy was used for quantification. A dedicated numerical diffusion model shows that iron diffusion requires the operation of two diffusion modes, one fast, one slow. We conclude that impurity bulk diffusion in garnet aggregates is always dominated by grain boundary diffusion.
Giulio Borghini and Patrizia Fumagalli
Eur. J. Mineral., 32, 251–264, https://doi.org/10.5194/ejm-32-251-2020, https://doi.org/10.5194/ejm-32-251-2020, 2020
Alan B. Woodland, Andrei V. Girnis, Vadim K. Bulatov, Gerhard P. Brey, and Heidi E. Höfer
Eur. J. Mineral., 32, 171–185, https://doi.org/10.5194/ejm-32-171-2020, https://doi.org/10.5194/ejm-32-171-2020, 2020
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We experimentally explored direct entrapment of breyite (CaSiO3) by diamond at upper-mantle conditions in a model subducted sediment rather than formation by retrogression of CaSiO3 perovskite, implying a deeper origin. Anhydrous low-T melting of CaCO3+SiO2 precludes breyite formation. Under hydrous conditions, reduction of melt results in graphite with breyite. Thus, breyite inclusions in natural diamond may form from aragonite + coesite or carbonate melt at 6–8 GPa via reduction with water.
Cited articles
Asimow, P. D., Stein, L. C., Mosenfelder, J. L., and Rossman, G. R.:
Quantitative polarized infrared analysis of trace OH in populations of
randomly oriented mineral grains, Am. Mineral., 91, 278–284,
https://doi.org/10.2138/am.2006.1937, 2006.
Assal, J., Hallstedt, B., and Gauckler, L. J.: Thermodynamic assessment of
the silver-oxygen system, J. Am. Ceram. Soc., 80, 3054–3060,
https://doi.org/10.1111/j.1151-2916.1997.tb03232.x, 1997.
Bai, Q. and Kohlstedt, D. L.: Effects of chemical environment on the
solubility and incorporation mechanism for hydrogen in olivine, Phys. Chem.
Miner., 19, 460–471, https://doi.org/10.1007/BF00203186, 1993.
Balan, E., Ingrin, J., Delattre, S., Kovács, I., and Blanchard, M.:
Theoretical infrared spectrum of OH-defects in forsterite, Eur. J. Mineral.,
23, 285–292, https://doi.org/10.1127/0935-1221/2011/0023-2090, 2011.
Barth, A., Newcombe, M., Plank, T., Gonnermann, H., Hajimirza, S., Soto, G.
J., Saballos, A., and Hauri, E.: Magma decompression rate correlates with
explosivity at basaltic volcanoes – Constraints from water diffusion in
olivine, J. Volcanol. Geoth. Res., 387, 106664,
https://doi.org/10.1016/j.jvolgeores.2019.106664, 2019.
Bell, A. S., Burger, P. V., Le, L., Shearer, C. K., Papike, J. J., Sutton,
S. R., Newville, M., and Jones, J.: XANES measurements of Cr valence in
olivine and their applications to planetary basalts, Am. Mineral., 99,
1404–1412, https://doi.org/10.2138/am.2014.4646, 2014.
Bell, D. R., Rossman, G. R., Maldener, J., Endisch, D., and Rauch, F.:
Hydroxide in olivine: a quantitative determination of the absolute amount
and calibration of the IR spectrum, J. Geophys. Res.-Sol. Ea., 108, 2105,
https://doi.org/10.1029/2001JB000679, 2003.
Berry, A. J. and O'Neill, H. S. C.: A XANES determination of the oxidation
state of chromium in silicate glasses, Am. Mineral., 89, 790–798,
https://doi.org/10.2138/am-2004-5-613, 2004.
Berry, A. J., Hermann, J., O'Neill, H. S. C., and Foran, G. J.:
Fingerprinting the water site in mantle olivine, Geology, 33, 869–872,
https://doi.org/10.1130/G21759.1, 2005.
Berry, A. J., O'Neill, H. S. C., Scott, D. R., Foran, G. J., and Shelley, J.
M. G.: The effect of composition on Cr2+/Cr3+ in silicate melts,
Am. Mineral., 91, 1901–1908, https://doi.org/10.2138/Am.2006.2097, 2006.
Berry, A. J., O'Neill, H. S. C., Hermann, J., and Scott, D. R.: The infrared
signature of water associated with trivalent cations in olivine, Earth
Planet. Sc. Lett., 261, 134–142, https://doi.org/10.1016/J.Epsl.2007.06.021,
2007.
Blanchard, M., Ingrin, J., Balan, E., Kovács, I., and Withers, A. C.:
Effect of iron and trivalent cations on OH defects in olivine, Am. Mineral.,
102, 302–311, https://doi.org/10.2138/am-2017-5777, 2017.
Bussweiler, Y., Brey, G., Pearson, D., Stachel, T., Stern, R., Hardman, M.,
Kjarsgaard, B., and Jackson, S.: The aluminum-in-olivine thermometer for
mantle peridotites – Experimental versus empirical calibration and potential
applications, Lithos, 272, 301–314,
https://doi.org/10.1016/j.lithos.2016.12.015, 2017.
Camp, C. H.: pyMCR: A Python Library for MultivariateCurve Resolution
Analysis with Alternating Regression (MCR-AR), J. Res. Natl. Inst. Stan.,
124, 1–10, https://doi.org/10.6028/jres.124.018, 2019.
Carslaw, H. S., and Jaeger, J. C.: Conduction of heat in solids, Oxford
University Press, Oxford, UK, 1959.
Chen, W. and Boulon, G.: Growth mechanism of Cr: forsterite laser crystal
with high Cr concentration, Opt. Mater., 24, 163–168,
https://doi.org/10.1016/S0925-3467(03)00120-4, 2003.
Choudhury, N. and Chaplot, S. L.: Free energy and relative stability of the
enstatite Mg2Si2O6 polymorphs, Solid State Commun., 114,
127–132, https://doi.org/10.1016/S0038-1098(00)00027-2, 2000.
Connolly, J. and Cesare, B.: COHS fluid composition and oxygen fugacity in
graphitic metapelites, J. Metamorph. Geol., 11, 379–388,
https://doi.org/10.1111/j.1525-1314.1993.tb00155.x, 1993.
Coogan, L. A., Saunders, A. D., and Wilson, R. N.: Aluminum-in-olivine
thermometry of primitive basalts: Evidence of an anomalously hot mantle
source for large igneous provinces, Chem. Geol., 368, 1–10,
https://doi.org/10.1016/j.chemgeo.2014.01.004, 2014.
Cotte, M., Pouyet, E., Salomé, M., Rivard, C., De Nolf, W.,
Castillo-Michel, H., Fabris, T., Monico, L., Janssens, K., and Wang, T.: The
ID21 X-ray and infrared microscopy beamline at the ESRF: status and recent
applications to artistic materials, J. Anal. Atom. Spectrom., 32, 477–493,
https://doi.org/10.1039/C6JA00356G, 2017.
Crank, J.: The Mathematics of Diffusion, 2nd Edn., Oxford University
Press, Oxford, UK, 1975.
De Hoog, J. C., Gall, L., and Cornell, D. H.: Trace-element geochemistry of
mantle olivine and application to mantle petrogenesis and
geothermobarometry, Chem. Geol., 270, 196–215,
https://doi.org/10.1016/j.chemgeo.2009.11.017, 2010.
Demouchy, S. and Mackwell, S.: Water diffusion in synthetic iron-free
forsterite, Phys. Chem. Miner., 30, 486–494,
https://doi.org/10.1007/s00269-003-0342-2, 2003.
Demouchy, S. and Mackwell, S.: Mechanisms of hydrogen incorporation and
diffusion in iron-bearing olivine, Phys. Chem. Miner., 33, 347–355,
https://doi.org/10.1007/s00269-006-0081-2, 2006.
Dudnikova, V. B., Gaister, A. V., Zharikov, E. V., Senin, V. G., and Urusov,
V. S.: Chromium distribution between forsterite and its melt: Dependence on
Chromium content in melt and redox conditions, Geokhimiya, 43, 519–526,
2005.
Dudnikova, V. B., Zharikov, E. V., and Urusov, V. S.: Concentration of
Cr4+ impurity ions and color centers as an indicator of saturation of
forsterite crystals Mg2SiO4 with oxygen, Phys. Solid State, 52,
1865–1873, https://doi.org/10.1134/S1063783410090131, 2010.
Du Frane, W. L. and Tyburczy, J. A.: Deuterium-hydrogen exchange in
olivine: Implications for point defects and electrical conductivity,
Geochem. Geophy. Geosy., 13,
Q03004,
https://doi.org/10.1029/2011GC003895, 2012.
Ferriss, E., Plank, T., and Walker, D.: Site-specific hydrogen diffusion
rates during clinopyroxene dehydration, Contrib. Mineral. Petr., 171, 1–24,
2016.
Ferriss, E., Plank, T., Newcombe, M., Walker, D., and Hauri, E.: Rates of
dehydration of olivines from San Carlos and Kilauea Iki, Geochim. Cosmochim.
Ac., 242, 165–190, https://doi.org/10.1016/j.gca.2018.08.050, 2018.
Fisher, G. W. and Medaris Jr., L. G.: Cell dimensions and X-ray
determinative curve for synthetic Mg-Fe olivines, Am. Mineral., 54, 741–753,
1969.
Ganguly, J., Bhattacharya, R., and Chakraborty, S.: Convolution effect in
the determination of compositional profiles and diffusion coefficients by
microprobe step scans, Am. Mineral., 73, 901–909, 1988.
Hack, A. C. and Mavrogenes, J. A.: A cold-sealing capsule design for
synthesis of fluid inclusions and other hydrothermal experiments in a
piston-cylinder apparatus, Am. Mineral., 91, 203–210,
https://doi.org/10.2138/Am.2006.1898, 2006.
Hemingway, B. S.: Thermodynamic Properties for Bunsenite, Nio, Magnetite,
Fe3O4, and Hematite, Fe2O3, with Comments on Selected
Oxygen Buffer Reactions, Am. Mineral., 75, 781–790, 1990.
Hoffman, K. R., Casas-Gonzalez, J., Jacobsen, S. M., and Yen, W. M.:
Electron-paramagnetic-resonance and fluorescence-line-narrowing measurements
of the lasing center in Cr-doped forsterite, Phys. Rev. B, 44, 12589–12592,
https://doi.org/10.1103/PhysRevB.44.12589, 1991.
Holland, T. J. B. and Powell, R.: An internally consistent thermodynamic
data set for phases of petrological interest, J. Metamorph. Geol., 16,
309–343, https://doi.org/10.1111/j.1525-1314.1998.00140.x, 1998.
Jollands, M., O'Neill, H. S. C., Van Orman, J., Berry, A., Hermann, J.,
Newville, M., and Lanzirotti, A.: Substitution and diffusion of Cr2+
and Cr3+ in synthetic forsterite and natural olivine at 1200–1500
∘C and 1 bar, Geochim. Cosmochim. Ac., 220, 407–428,
https://doi.org/10.1016/j.gca.2017.09.030, 2018.
Jollands, M. C., O'Neill, H. S. C., and Hermann, J.: The importance of
defining chemical potentials, substitution mechanisms and solubility in
trace element diffusion studies: the case of Zr and Hf in olivine, Contrib.
Mineral. Petr., 168, 1–19, https://doi.org/10.1007/s00410-014-1055-x, 2014.
Jollands, M. C., Hermann, J., O'Neill, H. S. C., Spandler, C., and
Padrón-Navarta, J. A.: Diffusion of Ti and some Divalent Cations in
Olivine as a Function of Temperature, Oxygen Fugacity, Chemical Potentials
and Crystal Orientation, J. Petrol., 57, 1983–2010,
https://doi.org/10.1093/petrology/egw067, 2016a.
Jollands, M. C., Padrón-Navarta, J. A., Hermann, J., and O'Neill, H. S.
C.: Hydrogen diffusion in Ti-doped forsterite and the preservation of
metastable point defects, Am. Mineral., 101, 1560–1570,
https://doi.org/10.2138/am-2016-55681571, 2016b.
Jollands, M. C., Kempf, E., Hermann, J., and Müntener, O.: Coupled
inter-site reaction and diffusion: Rapid dehydrogenation of silicon
vacancies in natural olivine, Geochim. Cosmochim. Ac., 262, 220–242,
https://doi.org/10.1016/j.gca.2019.07.025, 2019.
Kohlstedt, D. L., Keppler, H., and Rubie, D. C.: Solubility of water in the
α, β and γ phases of (Mg,Fe)2SiO4, Contrib.
Mineral. Petr., 123, 347–357, https://doi.org/10.1007/s004100050161, 1996.
Kohlstedt, D. L. and Mackwell, S. J.: Diffusion of hydrogen and intrinsic
point defects in olivine, Z. Phys. Chem., 207, 147–162,
https://doi.org/10.1524/zpch.1998.207.Part_1_2.147, 1998.
Kovács, I., O'Neill, H. S. C., Hermann, J., and Hauri, E. H.:
Site-specific infrared O-H absorption coefficients for water substitution
into olivine, Am. Mineral., 95,
292–299,
https://doi.org/10.2138/am.2010.3313, 2010.
Kröger, F. A. and Vink, H. J.: Relations between the Concentrations of
Imperfections in Crystalline Solids, in: Solid State Phys., 3,
307–435, https://doi.org/10.1016/S0081-1947(08)60135-6, 1956.
Le Losq, C., Berry, A. J., Kendrick, M. A., Neuville, D. R., and O'Neill, H.
S. C.: Determination of the oxidation state of iron in Mid-Ocean Ridge
basalt glasses by Raman spectroscopy, Am. Mineral., 104, 1032–1042,
https://doi.org/10.2138/am-2019-6887, 2019a.
Le Losq, C., Jollands, M. C., Tollan, P. M. E., Hawkins, R., and O'Neill, H.
S. C.: Point defect populations of forsterite revealed by two-stage
metastable hydroxylation experiments, Contrib. Mineral. Petr., 174, 53,
https://doi.org/10.1007/s00410-019-1590-6, 2019b.
Lemaire, C., Kohn, S., and Brooker, R.: The effect of silica activity on the
incorporation mechanisms of water in synthetic forsterite: a polarised
infrared spectroscopic study, Contrib. Mineral. Petr., 147, 48–57,
https://doi.org/10.1007/s00410-003-0539-x, 2004.
Libowitzky, E. and Beran, A.: The structure of hydrous species in nominally
anhydrous minerals: Information from polarized IR spectroscopy, Rev.
Mineral. Geochem., 62, 29–52, https://doi.org/10.1515/9781501509476-006,
2006.
Libowitzky, E. and Rossman, G. R.: An IR absorption calibration for water
in minerals, Am. Mineral., 82, 1111–1115,
https://doi.org/10.2138/am-1997-11-1208, 1997.
Mackwell, S. J. and Kohlstedt, D. L.: Diffusion of hydrogen in olivine:
Implications for water in the mantle, J. Geophys. Res.-Sol. Ea., 95,
5079–5088, https://doi.org/10.1029/JB095iB04p05079, 1990.
Mallmann, G. and O'Neill, H. S. C.: The Crystal/Melt Partitioning of V
during Mantle Melting as a Function of Oxygen Fugacity Compared with some
other Elements (Al, P, Ca, Sc, Ti, Cr, Fe, Ga, Y, Zr and Nb), J. Petrol.,
50, 1765–1794, https://doi.org/10.1093/Petrology/Egp053, 2009.
Matveev, S., O'Neill, H. S. C., Ballhaus, C., Taylor, W. R., and Green, D.:
Effect of silica activity on OH− IR spectra of olivine: implications for
low-aSiO2 mantle metasomatism, J. Petrol., 42, 721–729,
https://doi.org/10.1093/petrology/42.4.721, 2001.
Murphy, K. P.: Machine learning: a probabilistic perspective, MIT press, 2012.
Ni, H. and Zhang, Y.: H2O diffusion models in rhyolitic melt with new
high pressure data, Chem. Geol., 250, 68–78,
https://doi.org/10.1016/j.chemgeo.2008.02.011, 2008.
O'Neill, H. S. C. and Pownceby, M. I.: Thermodynamic Data from Redox
Reactions at High-Temperatures, 1. An Experimental and Theoretical
Assessment of the Electrochemical Method Using Stabilized Zirconia
Electrolytes, with Revised Values for the Fe-FeO, Co-CoO, Ni-NiO and
Cu-Cu2O Oxygen Buffers, and New Data for the W-WO2 Buffer,
Contrib. Mineral. Petr., 114, 296–314, https://doi.org/10.1007/Bf01046533,
1993.
Padrón-Navara, J. A. and Hermann, J.: A Subsolidus Olivine Water Solubility Equation for the Earth's Upper Mantle, J. Geophys. Res. Sol.-Ea., 122, 9862–9880, 2017.
Padrón-Navarta, J. A., Hermann, J., and O'Neill, H. S. C.: Site-specific
hydrogen diffusion rates in forsterite, Earth Planet Sc. Lett., 392, 100–112,
https://doi.org/10.1016/j.epsl.2014.01.055, 2014.
Pantelouris, A., Modrow, H., Pantelouris, M., Hormes, J., and Reinen, D.:
The influence of coordination geometry and valency on the K-edge absorption
near edge spectra of selected chromium compounds, Chem. Phys., 300, 13–22,
https://doi.org/10.1016/j.chemphys.2003.12.017, 2004.
Papike, J., Karner, J., and Shearer, C.: Comparative planetary mineralogy:
Valence state partitioning of Cr, Fe, Ti, and V among crystallographic sites
in olivine, pyroxene, and spinel from planetary basalts, Am. Mineral., 90,
277–290, https://doi.org/10.2138/am.2005.1779, 2005.
Paterson, M. S.: The determination of hydroxyl by infrared absorption in
quartz, silicate glasses and similar materials, B. Mineral., 105, 20–29,
1982.
Pedregosa, F., Varoquaux, G., Gramfort, A., Michel, V., Thirion, B., Grisel,
O., Blondel, M., Prettenhofer, P., Weiss, R., and Dubourg, V.: Scikit-learn:
Machine learning in Python, J. Mach. Learn. Res., 12, 2825–2830, 2011.
Peslier, A. H., Bizimis, M., and Matney, M.: Water disequilibrium in
olivines from Hawaiian peridotites: Recent metasomatism, H diffusion and
magma ascent rates, Geochim. Cosmochim. Ac., 154, 98–117,
https://doi.org/10.1016/j.gca.2015.01.030, 2015.
Petričević, V., Gayen, S. K., and Alfano, R. R.: Laser action in
chromium-activated forsterite for near-infrared excitation: Is Cr4+ the
lasing ion?, Appl. Phys. Lett., 53, 2590–2592,
https://doi.org/10.1063/1.100536, 1988a.
Petričević, V., Gayen, S. K., Alfano, R. R., Yamagishi, K., Anzai,
H., and Yamaguchi, Y.: Laser action in chromium-doped forsterite, Appl.
Phys. Lett., 52, 1040–1042, https://doi.org/10.1063/1.99203, 1988b.
Pownceby, M. I. and O'Neill, H. S. C.: Thermodynamic Data from Redox
Reactions at High-Temperatures, 4. Calibration of the Re-ReO2 Oxygen
Buffer from EMF and NiO+Ni-Pd Redox Sensor Measurements, Contrib. Mineral.
Petr., 118, 130–137, https://doi.org/10.1007/Bf01052864, 1994.
Rager, H., Taran, M., and Khomenko, V.: Polarized optical absorption spectra
of synthetic chromium doped Mg2SiO4 (forsterite), Phys. Chem.
Miner., 18, 37–39, https://doi.org/10.1007/BF00199041, 1991.
Rauch, M. and Keppler, H.: Water solubility in orthopyroxene, Contrib.
Mineral. Petr., 143, 525–536, https://doi.org/10.1007/s00410-002-0365-6,
2002.
Ravel, B. and Newville, M.: ATHENA, ARTEMIS, HEPHAESTUS: data analysis for
X-ray absorption spectroscopy using IFEFFIT, J. Synchrotron Radiat., 12,
537–541, https://doi.org/10.1107/S0909049505012719, 2005.
Reynes, J., Jollands, M., Hermann, J., and Ireland, T.: Experimental
constraints on hydrogen diffusion in garnet, Contrib. Mineral. Petr., 173,
69, https://doi.org/10.1007/s00410-018-1492-z, 2018.
Schindelin, J., Rueden, C. T., Hiner, M. C., and Eliceiri, K. W.: The ImageJ
ecosystem: An open platform for biomedical image analysis, Mol. Reprod.
Dev., 82, 518–529, https://doi.org/10.1002/mrd.22489, 2015.
Schreiber, H. D. and Haskin, L. A.: Chromium in basalts: Experimental
determination of redox states and partitioning among synthetic silicate
phases, Lunar and Planetary Science Conference Proceedings,
Houston, Texas, 15–19 March 1976,
1221–1259, 1976.
Shen, T., Hermann, J., Zhang, L., Padrón-Navarta, J. A., and Chen, J.:
FTIR spectroscopy of Ti-chondrodite, Ti-clinohumite, and olivine in deeply
subducted serpentinites and implications for the deep water cycle, Contrib.
Mineral.Petr., 167, 1–15, https://doi.org/10.1007/s00410-014-0992-8, 2014.
Solé, V., Papillon, E., Cotte, M., Walter, P., and Susini, J.: A
multiplatform code for the analysis of energy-dispersive X-ray fluorescence
spectra, Spectrochim. Acta B, 62, 63–68,
https://doi.org/10.1016/j.sab.2006.12.002, 2007.
Stalder, R. and Skogby, H.: Hydrogen diffusion in natural and synthetic
orthopyroxene, Phys. Chem. Miner., 30, 12–19,
https://doi.org/10.1007/s00269-002-0285-z, 2003.
Stalder, R., Purwin, H., and Skogby, H.: Influence of Fe on hydrogen
diffusivity in orthopyroxene, Eur. J. Mineral., 19, 899–903, 2007.
Sundvall, R., Skogby, H., and Stalder, R.: Hydrogen diffusion in synthetic
Fe-free diopside, Eur. J. Mineral., 21, 963–970,
https://doi.org/10.1127/0935-1221/2007/0019-1780, 2009.
Sutton, S. R., Jones, K. W., Gordon, B., Rivers, M. L., Bajt, S., and Smith,
J. V.: Reduced Chromium in Olivine Grains from Lunar Basalt 15555 – X-Ray
Absorption near Edge Structure (XANES), Geochim. Cosmochim. Ac., 57,
461–468, https://doi.org/10.1016/0016-7037(93)90444-2, 1993.
Tollan, P. M. E., O'Neill, H. S. C., Hermann, J., Benedictus, A., and
Arculus, R. J.: Frozen melt-rock reaction in a peridotite xenolith from
sub-arc mantle recorded by diffusion of trace elements and water in olivine,
Earth Plan. Sc. Lett., 422, 169–181,
https://doi.org/10.1016/j.epsl.2015.03.055, 2015.
Tollan, P. M. E., Smith, R., O'Neill, H. S. C., and Hermann, J.: The
responses of the four main substitution mechanisms of H in olivine to
H2O activity at 1050 ∘C and 3 GPa, Prog. Earth Planet. Sci., 4, 14, https://doi.org/10.1186/s40645-017-0128-7, 2017.
Tollan, P. M. E., O'Neill, H. S. C., and Hermann, J.: The role of trace
elements in controlling H incorporation in San Carlos olivine, Contrib.
Mineral. Petr., 173, 89, https://doi.org/10.1007/s00410-018-1517-7, 2018.
Whitmore, M. H., Sacra, A., and Singel, D. J.: Electron paramagnetic
resonance spectroscopy of tetrahedral Cr4+ in chromium-doped forsterite
and åkermanite, J. Chem. Phys., 98, 3656–3664,
https://doi.org/10.1063/1.464043, 1993.
Withers, A., Hirschmann, M., and Tenner, T.: The effect of Fe on olivine
H2O storage capacity: Consequences for H2O in the martian mantle,
Am. Mineral., 96, 1039–1053, https://doi.org/10.2138/am.2011.3669, 2011.
Withers, A. C., Bureau, H. L. N., Raepsaet, C., and Hirschmann, M. M.:
Calibration of infrared spectroscopy by elastic recoil detection analysis of
H in synthetic olivine, Chem. Geol., 334, 92–98,
https://doi.org/10.1016/j.chemgeo.2012.10.002, 2012.
Zhukova, I., O'Neill, H., and Campbell, I. H.: A subsidiary fast-diffusing
substitution mechanism of Al in forsterite investigated using diffusion
experiments under controlled thermodynamic conditions, Contrib. Mineral.
Petr., 172, 53, https://doi.org/10.1007/s00410-017-1365-x, 2017.
Short summary
How, and how fast, does hydrogen move through crystals? We consider this question by adding hydrogen, by diffusion, to synthetic crystals of olivine doped with trace amounts of chromium. Even in a highly simplified system, the behaviour of hydrogen is complex. Hydrogen can move into and through the crystal using various pathways (different defects within the crystal) and hop between these pathways too.
How, and how fast, does hydrogen move through crystals? We consider this question by adding...