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Raman scattering of omphacite at high pressure: Toward its possible application to elastic geothermobarometry

  • Lisa Baratelli EMAIL logo , Mara Murri , Matteo Alvaro , Mauro Prencipe , Boriana Mihailova and Fernando Cámara
Published/Copyright: November 29, 2024
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American Mineralogist
From the journal American Mineralogist Volume 109 Issue 12

Abstract

Due to their widespread occurrence in several geological settings, omphacite inclusions could be used for elastic Raman geothermobarometry. However, the Raman scattering of complex silicate minerals entrapped in a host depends on both the chemical composition and elastic strain developed during the metamorphic pathway, which makes the task very challenging. Here, as a very first step to probe the potential of omphacite to be used as a mineral inclusion in elastic geothermobarometry, we report the pressure dependence of the Raman spectra of omphacite crystals with the same composition, approximately Jd43Di57, but having different symmetry because of the existence (P2/n) or absence (C2/c) of chemical order at the six- and eight-coordinated cation sites. The experimental results are complemented by ab initio quantum mechanical simulations on fully ordered omphacite (Jd50Di50). We demonstrate that the position of the well-resolved Raman peak near 688 cm–1, arising from Si-O-Si bond bending, is very sensitive to pressure but independent of the state of chemical order, which makes it promising to be utilized in Raman geobarometry. The width of this peak varies with chemical order but not with pressure and therefore can be used to constrain the temperature of inclusion entrapment, because the chemical order is indicative of the closure temperature of the cation-exchange reaction. However, further detailed analyses on the compositional variation of the Raman spectra of omphacite is required before considering omphacite-in-garnet systems to be suitable for Raman elastic geothermobarometry.

Keywords: Omphacite; site-occupancy order; Raman spectroscopy; high pressure; ab initio calculation

Acknowledgments and Funding

This work was funded by the Italian Ministry of University and Research (MIUR) through a Ph.D. grant to L. Baratelli; F. Cámara and L. Baratelli through the project “Dipartimenti di Eccellenza 2023-2027"; and by European Research Council under the European Union’s Horizon 2020 research and innovation program grant agreement 714936 (ERC-STG TRUE DEPTHS) to M. Alvaro. M. Murri is supported by an A. von Humboldt research fellowship. This work has also been partly supported by the PRIN-MUR project “THALES” Prot.2020WPMFE9_003. M. Alvaro is also supported by the Highlight funded by Fondi Regione Lombardia DGR 3776.

References cited

Alvaro, M., Domeneghetti, M.C., Fioretti, A.M., Cámara, F., and Marinangeli, L. (2015) A new calibration to determine the closure temperatures of Fe-Mg ordering in augite from nakhlites. Meteoritics & Planetary Science, 50, 499–507, https://doi.org/10.1111/maps.12436.Search in Google Scholar

Andò, S. and Garzanti, E. (2014) Raman spectroscopy in heavy-mineral studies. Special Publication, Geological Society of London, 386, 395–412, https://doi.org/10.1144/SP386.2.Search in Google Scholar

Angel, R.J., Bujak, M., Zhao, J., Gatta, G.D., and Jacobsen, S.D. (2007) Effective hydrostatic limits of pressure media for high-pressure crystallographic studies. Journal of Applied Crystallography, 40, 26–32, https://doi.org/10.1107/S0021889806045523.Search in Google Scholar

Angel, R.J., Alvaro, M., Miletich, R., and Nestola, F. (2017a) A simple and generalised P-T-V EoS for continuous phase transitions, implemented in EosFit and applied to quartz. Contributions to Mineralogy and Petrology, 172, 29, https://doi.org/10.1007/s00410-017-1349-x.Search in Google Scholar

Angel, R.J., Mazzucchelli, M.L., Alvaro, M., and Nestola, F. (2017b) EosFit-Pinc: A simple GUI for host-inclusion elastic thermobarometry. American Mineralogist, 102, 1957–1960, https://doi.org/10.2138/am-2017-6190.Search in Google Scholar

Angel, R.J., Gilio, M., Mazzucchelli, M., and Alvaro, M. (2022) Garnet EoS: A critical review and synthesis. Contributions to Mineralogy and Petrology, 177, 54, https://doi.org/10.1007/s00410-022-01918-5.Search in Google Scholar

Anzolini, C., Prencipe, M., Alvaro, M., Romano, C., Vona, A., Lorenzon, S., Smith, E.M., Brenker, F.E., and Nestola, F. (2018) Depth of formation of super-deep diamonds: Raman barometry of CaSiO3-walstromite inclusions. American Mineralogist, 103, 69–74, https://doi.org/10.2138/am-2018-6184.Search in Google Scholar

Beata, G., Perego, G., and Civalleri, B. (2019) CRYSPLOT: A new tool to visualize physical and chemical properties of molecules, polymers, surfaces, and crystalline solids. Journal of Computational Chemistry, 40, 2329–2338, https://doi.org/10.1002/jcc.25858.Search in Google Scholar

Boffa Ballaran, T., Carpenter, M.A., Domeneghetti, M.C., and Tazzoli, V. (1998a) Structural mechanisms of solid solution and cation ordering in augite-jadeite pyroxenes: I. A macroscopic perspective. American Mineralogist, 83, 419–433, https://doi.org/10.2138/am-1998-5-602.Search in Google Scholar

Boffa Ballaran, T., Carpenter, M.A., Domeneghetti, M.C., Salje, E.K.H., and Tazzoli, V. (1998b) Structural mechanisms of solid solution and cation ordering in augitejadeite pyroxenes: II. A microscopic perspective. American Mineralogist, 83, 434–443, https://doi.org/10.2138/am-1998-5-603.Search in Google Scholar

Buzatu, A. and Buzgar, N. (2010) The Raman study of single-chain silicates. Analele Ştiincifice ale Universităţii “AI. I. Cuza” din Iaşi. Geologie, 56, 107–125.Search in Google Scholar

Cámara, F., Nieto, F., and Oberti, R. (1998) Effects of Fe2+ and Fe3+ contents on cation ordering in omphacite. European Journal of Mineralogy, 10, 889–906, https://doi.org/10.1127/ejm/10/5/0889.Search in Google Scholar

Cameron, M., Sueno, S., Prewitt, C.T., and Papike, J.J. (1973) High temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite, spodumene, and ureyite. American Mineralogist, 58, 594–618.Search in Google Scholar

Campomenosi, N., Scambelluri, M., Angel, R.J., Hermann, J., Mazzucchelli, M.L., Mihailova, B., Piccoli, F., and Alvaro, M. (2021) Using the elastic properties of zircon-garnet host-inclusion pairs for thermobarometry of the ultrahigh-pressure Dora-Maira whiteschists: Problems and perspectives. Contributions to Mineralogy and Petrology, 176, 36, https://doi.org/10.1007/s00410-021-01793-6.Search in Google Scholar

Campomenosi, N., Angel, R.J., Alvaro, M., and Mihailova, B. (2023) Resetting of zircon inclusions in garnet: Implications for elastic thermobarometry. Geology, 51, 23–27, https://doi.org/10.1130/G50431.1.Search in Google Scholar

Carli, C., Barbaro, A., Murri, M., Domeneghetti, C.M., Langone, A., Bruschini, E., Stephant, A., Alvaro, M., Stefani, S., Cuppone, T., and others. (2023) Al Huwaysah 010: The most reduced brachinite, so far. Meteoritics & Planetary Science, 58, 855–874, https://doi.org/10.1111/maps.13998.Search in Google Scholar

Carpenter, M.A. (1980) Mechanisms of exsolution in sodic pyroxenes. Contributions to Mineralogy and Petrology, 71, 289–300, https://doi.org/10.1007/BF00371671.Search in Google Scholar

Carpenter, M.A. (1982a) Omphacite microstructures as time-temperature indicators of blueschist and eclogite facies metamorphism. Contributions to Mineralogy and Petrology, 78, 441–451, https://doi.org/10.1007/BF00375206.Search in Google Scholar

Carpenter, M.A. (1982b) Time-temperature-transformation (TTT) analysis of cation disordering in omphacite. Contributions to Mineralogy and Petrology, 78, 433–440, https://doi.org/10.1007/BF00375205.Search in Google Scholar

Carpenter, M.A., Domeneghetti, M.C., and Tazzoli, V. (1990a) Application of Landau theory to cation ordering in omphacite I: Equilibrium behaviour. European Journal of Mineralogy, 2, 7–18, https://doi.Org/10.1127/ejm/2/1/0007.Search in Google Scholar

Carpenter, M.A., Domeneghetti, M.C., and Tazzoli, V. (1990b) Application of Landau theory to cation ordering in omphacite II: Kinetic behaviour. European Journal of Mineralogy, 2, 19–28, https://doi.org/10.1127/ejm/2/1/0019.Search in Google Scholar

Civalleri, B., D’Arco, P., Orlando, R., Saunders, V., and Dovesi, R. (2001) Hartree-Fock geometry optimisation of periodic systems with the CRYSTAL code. Chemical Physics Letters, 348, 131–138, https://doi.org/10.1016/S0009-2614(01)01081-8.Search in Google Scholar

Dovesi, R., Erba, A., Orlando, R., Zicovich-Wilson, C.M., Civalleri, B., Maschio, L., R’erat, M., Casassa, S., Baima, J., Salustro, S., and others. (2018) Quantum-mechanical condensed matter simulations with CRYSTAL. Wiley Interdisciplinary Reviews. Computational Molecular Science, 8, e1360, https://doi.org/10.1002/wcms.1360.Search in Google Scholar

Dresselhaus, M.S., Dresselhaus, G., and Jorio, A. (2008) Group Theory: Application to the Physics of Condensed Matter, 582 p. Springer-Verlag.Search in Google Scholar

Ehlers, A.M., Zaffiro, G., Angel, R.J., Boffa-Ballaran, T., Carpenter, M.A., Alvaro, M., and Ross, N.L. (2022) Thermoelastic properties of zircon: Implications for geothermobarometry. American Mineralogist, 107, 74–81, https://doi.org/10.2138/am-2021-7731.Search in Google Scholar

Franz, L., Sun, T.T., Hänni, H.A., De Capitani, C., Thanasuthipitak, T., and Atichat, W. (2014) A comparative study of jadeite, omphacite and kosmochlor jades from Myanmar, and suggestions for a practical nomenclature. The Journal of Geology, 34, 210–229.Search in Google Scholar

Ghignone, S., Prencipe, M., Manzotti, P., Bruno, M., Boero, F., Borghini, A., Costa, E., Ciriotti, M., and Scaramuzzo, E. (2023) The Raman spectrum of florencite-(REE) [REEAl3(PO4)2(OH)6]: An integrated experimental and computational approach. Journal of Raman Spectroscopy, 3, 394–405.Search in Google Scholar

Gianola, O., Costa, B., Ferri, F., Gilio, M., Petrelli, M., Murri, M., Barbaro, A., Alvaro, M., Rodríguez-Vargas, A., Poli, S., and others. (2023) Melt inclusions in arclogitic xenoliths constrain the genesis of the lower continental arc crust beneath the Northern Volcanic Zone, Colombia. Journal of Petrology, 64, egad038, https://doi.org/10.1093/petrology/egad038.Search in Google Scholar

Gilio, M., Scambelluri, M., Agostini, S., Godard, M., Pettke, T., Agard, P., Locatelli, M., and Angiboust, S. (2020) Fingerprinting and relocating tectonic slices along the plate interface: Evidence from the Lago Superiore unit at Monviso (Western Alps). Lithos, 352–353, 105308, https://doi.org/10.1016/j.lithos.2019.105308.Search in Google Scholar

Gilio, M., Angel, R.J., and Alvaro, M. (2021) Elastic geobarometry: How to work with residual inclusion strains and pressures. American Mineralogist, 106, 1530–1533, https://doi.org/10.2138/am-2021-7928.Search in Google Scholar

Gilio, M., Scambelluri, M., Angel, R.J., and Alvaro, M. (2022) The contribution of elastic geothermobarometry to the debate on HP versus UHP metamorphism. Journal of Metamorphic Geology, 40, 229–242, https://doi.org/10.1111/jmg.12625.Search in Google Scholar

Hawthorne, F.C., Ungaretti, L., and Oberti, R. (1995) Site populations in minerals: Terminology and presentation of results of crystal-structure refinement. Canadian Mineralogist, 33, 907–911.Search in Google Scholar

Katerinopoulou, A., Musso, M., and Amthauer, G. (2008) A Raman spectroscopic study of the phase transition in omphacite. Vibrational Spectroscopy, 48, 163–167, https://doi.org/10.1016/j.vibspec.2007.12.015.Search in Google Scholar

Kohn, M.J., Mazzucchelli, M.L., and Alvaro, M. (2023) Elastic thermobarometry. Annual Review of Earth and Planetary Sciences, 51, 331–366, https://doi.org/10.1146/annurev-earth-031621-112720.Search in Google Scholar

Kolesov, B.A. and Geiger, C.A. (1997) Raman scattering in silicate garnets: An investigation of their resonance intensities. Journal of Raman Spectroscopy, 28, 659–662, https://doi.org/10.1002/(SICI)1097-4555(199709)28:9<659:AID-JRS156>3.0.CO;2-7.Search in Google Scholar

Korsakov, A.V., Perraki, M., Zhukov, V.P., De Gussem, K., Vandenabeele, P., and Tomilenko, A.A. (2010) Is quartz a potential indicator of ultrahigh-pressure metamorphism? Laser Raman spectroscopy of quartz inclusions in ultrahigh-pressure garnets. European Journal of Mineralogy, 21, 1313–1323, https://doi.org/10.1127/0935-1221/2009/0021-2006.Search in Google Scholar

Kroumova, E., Aroyo, M., Perez-Mato, J., Kirov, A., Capillas, C., Ivantchev, S., and Wondratschek, H. (2003) Bilbao crystallographic server: Useful databases and tools for phase-transition studies. Phase Transitions, 76, 155–170, https://doi.org/10.1080/0141159031000076110.Search in Google Scholar

Lee, C., Yang, W., and Parr, R.G. (1988) Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Physical Review B, 37, 785–789, https://doi.org/10.1103/PhysRevB.37.785.Search in Google Scholar

Lentz, R.C.F., McCoy, T.J., Collins, L.E., Corrigan, C.M., Benedix, G.K., Taylor, G.J., and Harvey, R.P. (2011) Theo’s Flow, Ontario, Canada: A terrestrial analog for the Martian nakhlite meteorites. Geological Society of America Special Papers, 483, 263–277.Search in Google Scholar

Matthes, S. and Schmidt, K. (1974) Eclogites of the Münchberg Mass, NE Bavaria. Fortschritte der Mineralogie, 52, 33–57.Search in Google Scholar

McCormick, T.C. (1986) Crystal-chemical aspects of nonstoichiometric pyroxenes. American Mineralogist, 71, 1434–1440.Search in Google Scholar

Meyer, H.O.A. and Boyd, F.R. (1972) Composition and origin of crystalline inclusions in natural diamonds. Geochimica et Cosmochimica Acta, 36, 1255–1273, https://doi.org/10.1016/0016-7037(72)90048-8.Search in Google Scholar

Mihailova, B., Waeselmann, N., Stangarone, C., Angel, R.J., Prencipe, M., and Alvaro, M. (2019) The pressure-induced phase transition(s) of ZrSiO4: Revised. Physics and Chemistry of Minerals, 46, 807–814, https://doi.org/10.1007/s00269-019-01041-1.Search in Google Scholar

Milani, S., Nestola, F., Alvaro, M., Pasqual, D., Mazzucchelli, M.L., Domeneghetti, M.C., and Geiger, C.A. (2015) Diamond-garnet geobarometry: The role of garnet compressibility and expansivity. Lithos, 227, 140–147, http://dx.doi.org/10.1016/j.lithos.2015.03.017.Search in Google Scholar

Momma, K. and Izumi, F. (2008) Vesta: A three-dimensional visualization system for electronic and structural analysis. Journal of Applied Crystallography, 41, 653–658, https://doi.org/10.1107/S0021889808012016.Search in Google Scholar

Monkhorst, H.J. and Pack, J.D. (1976) Special points for Brillouin-zone integrations. Physical Review B, 13, 5188–5192, https://doi.org/10.1103/PhysRevB.13.5188.Search in Google Scholar

Morimoto, N., Fabries, J., Ferguson, A.K., Ginzburg, I.V., Ross, M., Seifert, F.A., Zussman, J., Aoki, K., and Gottardi, G. (1988) Nomenclature of pyroxenes. Mineralogical Magazine, 52, 535–550, https://doi.org/10.1180/minmag.1988.052.367.15.Search in Google Scholar

Munro, R., Piermarini, J., Block, S., and Holzapfel, W. (1985) Model line-shape analysis for the ruby R lines used for pressure measurements. Journal of Applied Physics, 57, 165–169, https://doi.org/10.1063/1.334837.Search in Google Scholar

Murri, M., Scandolo, L., Fioretti, A.M., Nestola, F., Domeneghetti, C.M., and Alvaro, M. (2016) The role of Fe content on the Fe-Mg exchange reaction in augite. American Mineralogist, 101, 2747–2750, https://doi.org/10.2138/am-2016-5717.Search in Google Scholar

Murri, M., Mazzucchelli, M.L., Campomenosi, N., Korsakov, A.V., Prencipe, M., Mihailova, B.D., Scambelluri, M., Angel, R.J., and Alvaro, M. (2018) Raman elastic geobarometry for anisotropic mineral inclusions. American Mineralogist, 103, 1869–1872.Search in Google Scholar

Murri, M., Alvaro, M., Angel, R.J., Prencipe, M., and Mihailova, B.D. (2019a) The effects of non-hydrostatic stress on the structure and properties of alpha-quartz. Physics and Chemistry of Minerals, 46, 487–499, https://doi.org/10.1007/s00269-018-01018-6.Search in Google Scholar

Murri, M., Domeneghetti, M.C., Fioretti, A.M., Nestola, F., Vetere, F., Perugini, D., Pisello, A., Faccenda, M., and Alvaro, M. (2019b) Cooling history and emplacement of a pyroxenitic lava as proxy for understanding Martian lava flows. Scientific Reports, 9, 17051, https://doi.org/10.1038/s41598-019-53142-0.Search in Google Scholar

Nestola, F., Alvaro, M., Casati, M.N., Wilhelm, H., Kleppe, A.K., Jephcoat, A.P., Domeneghetti, M.C., and Harris, J.W. (2016) Source assemblage types for cratonic diamonds from X-ray synchrotron diffraction. Lithos, 265, 334–338, https://doi.org/10.1016/j.lithos.2016.07.037.Search in Google Scholar

Nestola, F., Prencipe, M., Nimis, P., Sgreva, N., Perritt, S.H., Chinn, I.L., and Zaffiro, G. (2018) Toward a robust elastic geobarometry of kyanite inclusions in eclogitic diamonds. JGR Solid Earth, 123, 6411–6423, https://doi.org/10.1029/2018JB016012.Search in Google Scholar

O’Brien, P.J. (1993) Partially retrograded eclogites of the Münchberg Massif, Germany: Records of a multi-stage Variscan uplift history in the Bohemian Massif. Journal of Metamorphic Geology, 11, 241–260, https://doi.org/10.1111/j.1525-1314.1993.tb00145.x.Search in Google Scholar

Pandolfo, F., Nestola, F., Cámara, F., and Domeneghetti, M.C. (2012a) High-pressure behavior of space group P2/n omphacite. American Mineralogist, 97, 407–414, https://doi.org/10.2138/am.2012.3928.Search in Google Scholar

Pandolfo, F., Nestola, F., Cámara, F., and Domeneghetti, M.C. (2012b) New thermoelastic parameters of natural C2/c omphacite. Physics and Chemistry of Minerals, 39, 295–304, https://doi.org/10.1007/s00269-012-0484-1.Search in Google Scholar

Papike, J.J. (1980) Pyroxene mineralogy of the Moon and meteorites. Reviews in Mineralogy and Geochemistry, 7, 495–525.Search in Google Scholar

Pascale, F., Zicovich-Wilson, C.M., López Gejo, F., Civalleri, B., Orlando, R., and Dovesi, R. (2004) The calculation of the vibrational frequencies of crystalline compounds and its implementation in the CRYSTAL code. Journal of Computational Chemistry, 25, 888–897, https://doi.org/10.1002/jcc.20019.Search in Google Scholar

Pasqualetto, L., Nestola, F., Jacob, D.E., Pamato, M.G., Oliveira, B., Perritt, S., Chinn, I., Nimis, P., Milani, S., and Harris, J.W. (2022) Protogenetic clinopyroxene inclusions in diamond and Nd diffusion modeling—Implications for diamond dating. Geology, 50, 1038–1042, https://doi.org/10.1130/G50273.1.Search in Google Scholar

Pavese, A., Bocchio, R., and Ivaldi, G. (2000) In situ high temperature single crystal X-ray diffraction study of a natural omphacite. Mineralogical Magazine, 64, 983–993, https://doi.org/10.1180/002646100549986.Search in Google Scholar

Pavese, A., Diella, V., Levy, D., and Hanfland, M. (2001) Synchrotron X-ray powder diffraction study of a natural P2/n omphacites at high pressure conditions. Physics and Chemistry of Minerals, 28, 9–16, https://doi.org/10.1007/s002690000128.Search in Google Scholar

Phakey, P.P. and Ghose, S. (1973) Direct observation of anti-phase domain structure in omphacite. Contributions to Mineralogy and Petrology, 39, 239–245, https://doi.org/10.1007/BF00383106.Search in Google Scholar

Philpotts, A. and Ague, J. (2009) Principles of Igneous and Metamorphic Petrology, 2nd ed., 684 p. Cambridge University Press.Search in Google Scholar

Pouchou, J.L. and Pichoir, F (1985) ‘PAP’ Φ(ρZ) procedure for improved quantitative microanalysis. In J.T. Armstrong, Ed., Microbeam Analysis, p. 104–106. San Francisco Press.Search in Google Scholar

Powell, R. and Holland, T.J.B. (2008) On thermobarometry. Journal of Metamorphic Geology, 26, 155–179, https://doi.org/10.1111/j.1525-1314.2007.00756.x.Search in Google Scholar

Prencipe, M. (2012) Simulation of vibrational spectra of crystals by ab initio calculations: An invaluable aid in the assignment and interpretation of the Raman signals. The case of jadeite (NaAlSi2O6). Journal of Raman Spectroscopy, 43, 1567–1569, https://doi.org/10.1002/jrs.4040.Search in Google Scholar

Prencipe, M. (2019) Quantum mechanics in Earth sciences: A one-century-old story. Rendiconti Lincei. Scienze Fisiche e Naturali, 30, 239–259, https://doi.org/10.1007/s12210-018-0744-1.Search in Google Scholar

Prencipe, M., Scanavino, I., Nestola, F., Merlini, M., Civalleri, B., Bruno, M., and Dovesi, R. (2011) High-pressure thermo-elastic properties of beryl (Al4Be6Si12O36) from ab initio calculations, and observations about the source of thermal expansion. Physics and Chemistry of Minerals, 38, 223–239, https://doi.org/10.1007/s00269-010-0398-8.Search in Google Scholar

Prencipe, M., Mantovani, L., Tribaudino, M., Bersani, D., and Lottici, P.P. (2012) The Raman spectrum of diopside: A comparison between ab initio calculated and experimentally measured frequencies. European Journal of Mineralogy, 24, 457–464, https://doi.org/10.1127/0935-1221/2012/0024-2178.Search in Google Scholar

Robinson, K., Gibbs, G.V., and Ribbe, P.H. (1971) Quadratic elongation: A quantitative measure of distortion in coordination polyhedra. Science, 172, 567–570, https://doi.org/10.1126/science.172.3983.567.Search in Google Scholar

Sheldrick, G.M. (2015) Crystal structure refinement with SHELX. Acta Crystal-lographica. Section C, Structural Chemistry, 71, 3–8, https://doi.org/10.1107/S2053229614024218.Search in Google Scholar

Skelton, R. and Walker, A.M. (2015) The effect of cation order on the elasticity of omphacite from atomistic calculations. Physics and Chemistry of Minerals, 42, 677–691, https://doi.org/10.1007/s00269-015-0754-9.Search in Google Scholar

Sophia, G., Baranek, P., Sarrazin, C., Rérat, M., and Dovesi, R. (2014) Systematic influence of atomic substitution on the phase diagram of ABO3 ferroelectric perovskites. Available online: https://www.crystal.unito.it/Basis_Sets/tin.html.Search in Google Scholar

Stangarone, C., Tribaudino, M., Prencipe, M., and Lottici, P.P. (2016) Raman modes in Pbca enstatite (Mg2Si2O6): An assignment by quantum mechanical calculation to interpret experimental results. Journal of Raman Spectroscopy, 47, 1247–1258, https://doi.org/10.1002/jrs.4942.Search in Google Scholar

Valenzano, L., Torres, F.J., Doll, K., Pascale, F., Zicovich-Wilson, C.M., and Dovesi, R. (2006) Ab initio study of the vibrational spectrum and related properties of crystalline compounds; the case of CaCO3 calcite. Zeitschrift für Physikalische Chemie, 220, 893–912, https://doi.org/10.1524/zpch.2006.220.7.893.Search in Google Scholar

van Roermund, H.L.M. and Lardeaux, J.M. (1991) Modification of antiphase domain sizes in omphacite by dislocation glide and creep mechanisms and its petrological consequences. Mineralogical Magazine, 55, 397–407, https://doi.org/10.1180/minmag.1991.055.380.09.Search in Google Scholar

Wang, A., Jolliff, B.L., Haskin, L.A., Kuebler, K.E., and Viskupic, K.M. (2001) Characterization and comparison of structural and compositional features of planetary quadrilateral pyroxenes by Raman spectroscopy. American Mineralogist, 86, 790–806, https://doi.org/10.2138/am-2001-0703.Search in Google Scholar

Wilson, A.J.C. (1995) International Tables for Crystallography, Volume C: Mathematical, Physical and Chemical Tables, 1033 p. Kluwer Academic Publishers.Search in Google Scholar

Wu, Z. and Cohen, R.E. (2006) More accurate generalized gradient approximation for solids. Physical Review B, 73, 235116, https://doi.org/10.1103/PhysRevB.73.235116.Search in Google Scholar

Zhang, D., Hu, Y., and Dera, P.K. (2016) Compressional behavior of omphacite to 47 GPa. Physics and Chemistry of Minerals, 43, 707–715, https://doi.org/10.1007/s00269-016-0827-4.Search in Google Scholar

Zhong, X., Andersen, N.H., Dabrowski, M., and Jamtveit, B. (2019) Zircon and quartz inclusions in garnet used for complementary Raman thermobarometry: Application to the Holsnøy eclogite, Bergen Arcs, Western Norway. Contributions to Mineralogy and Petrology, 174, 50, https://doi.org/10.1007/s00410-019-1584-4.Search in Google Scholar
Received: 2023-07-29
Accepted: 2024-03-19
Published Online: 2024-11-29
Published in Print: 2024-12-15

© 2024 by Mineralogical Society of America

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  8. Thermal equation of state of Li-rich schorl up to 15.5 GPa and 673 K: Implications for lithium and boron transport in slab subduction
  9. Raman scattering of omphacite at high pressure: Toward its possible application to elastic geothermobarometry
  10. Interpreting mineral deposit genesis classification with decision maps: A case study using pyrite trace elements
  11. Geochemical characteristics of mineral inclusions in the Luobusa chromitite (Southern Tibet): Implications for an intricate geological setting
  12. Three new iron-phosphate minerals from the El Ali iron meteorite, Somalia: Elaliite Fe82+ Fe3+(PO4)O8, elkinstantonite Fe4(PO4)2O, and olsenite KFe4(PO4)3
  13. Intervalence charge transfer in aluminum oxide and aluminosilicate minerals at elevated temperatures
  14. Electron probe microanalysis of trace sulfur in experimental basaltic glasses and silicate minerals
  15. New Mineral Names
  16. Book Review
  17. Book Review: Celebrating the International Year of Mineralogy: Progress and Landmark Discoveries of the Last Decades
https://doi.org/10.2138/am-2023-9140
Keywords for this article
Omphacite; site-occupancy order; Raman spectroscopy; high pressure; ab initio calculation

Articles in the same Issue

  1. Fluids in the shallow mantle of southeastern Australia: Insights from phase equilibria
  2. Compositional effects on the etching of fossil confined fission tracks in apatite
  3. Evaluation of the Rietveld method for determining content and chemical composition of inorganic X-ray amorphous materials in soils
  4. High-pressure phase transition of olivine-type Mg2GeO4 to a metastable forsterite-III type structure and their equations of state
  5. The application of “transfer learning” in optical microscopy: The petrographic classification of opaque minerals
  6. Mechanisms of fluid degassing in shallow magma chambers control the formation of porphyry deposits
  7. The OH-stretching region in infrared spectra of the apatite OH-Cl binary system
  8. Thermal equation of state of Li-rich schorl up to 15.5 GPa and 673 K: Implications for lithium and boron transport in slab subduction
  9. Raman scattering of omphacite at high pressure: Toward its possible application to elastic geothermobarometry
  10. Interpreting mineral deposit genesis classification with decision maps: A case study using pyrite trace elements
  11. Geochemical characteristics of mineral inclusions in the Luobusa chromitite (Southern Tibet): Implications for an intricate geological setting
  12. Three new iron-phosphate minerals from the El Ali iron meteorite, Somalia: Elaliite Fe82+ Fe3+(PO4)O8, elkinstantonite Fe4(PO4)2O, and olsenite KFe4(PO4)3
  13. Intervalence charge transfer in aluminum oxide and aluminosilicate minerals at elevated temperatures
  14. Electron probe microanalysis of trace sulfur in experimental basaltic glasses and silicate minerals
  15. New Mineral Names
  16. Book Review
  17. Book Review: Celebrating the International Year of Mineralogy: Progress and Landmark Discoveries of the Last Decades
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