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Compressibility of 2M1 muscovite-phlogopite series minerals

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Abstract

Muscovite (Ms) and phlogopite (Phl) belong to the 2:1 dioctahedral and trioctahedral layer silicates, respectively, and are the end members of Ms-Phl series minerals. This series was studied in the 2M1 polytype and modeled by the substitution of three Mg2+ cations in the Phl octahedral sites by two Al3+ and one vacancy, increasing the substitution up to reach the Ms. The series was computationally examined at DFT level as a function of pressure to 9 GPa. Cell parameters as a function of pressure and composition, and bulk moduli as a function of the composition agrees with the existing experimental results. The mixing Gibbs free energy was calculated as a function of composition. From these data, approximated solvi were calculated at increasing pressure. A gap of solubility is found, decreasing the gap of solubility at high pressure.

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References

  1. Huang WL, Wyllie PJ (1973) Muscovite dehydratation and melting in deep crust and subducted oceanic sediments. Earth Planet Sci Lett 18:133–136

    CAS  Google Scholar 

  2. Hwang H, Seoung D, Lee Y, Liu Z, Liermann HL, Cynn H, Vogt T, Kao C-C, Mao H-K (2017) A role for subducted super-hydrated kaolinite in Earth’s deep water cycle. Nat Geosci 10:947–953

    CAS  Google Scholar 

  3. Schmidt M, Poli S (1998) Experimentally based water budgets for dehydrating slabs and consequences for arc magma generation. Earth Planet Sci Lett 163:361–379

    CAS  Google Scholar 

  4. Schmidt M, Wielzeuf D, Auzanneau E (2004) Melting and dissolution of subducting crust at high pressures: the key role of white mica. Earth Planet Sci Lett 228:65–84

    CAS  Google Scholar 

  5. Robert J-L (1976) Phlogopite solid solutions in the system K2O-MgO-Al2O3-SiO2-H2O. Chem Geol 17:195–212

    CAS  Google Scholar 

  6. Monier G, Robert J-L (1986) Muscovite solid solutions in the system K2O-MgO-FeO-Al2O3-SiO2-H2O: an experimental study at 2 kbar PH2O and comparison with natural li-free white micas. Mineral Mag 50:257–266

  7. Rutherford MJ (1973) The phase relations of aluminous iron biotites in the system KAlSi3O8-KAlSiO4-Al2O3-Fe-O-H. J Petrol 14:159–180

    CAS  Google Scholar 

  8. Foster MD (1960) Interpretation of the composition of trioctahedral micas. US Geol Surv Prof Pap 354:8, 48 pp

    Google Scholar 

  9. Crowley MS, Roy R (1964) Crystalline solubility in muscovite and phlogopite groups. Am Mineral 49:348

    CAS  Google Scholar 

  10. Faust J, Knittle E (1994) The equation of state, amorphization and high pressure phase diagram of muscovite. J Geophys Res 99:19785–19792

    CAS  Google Scholar 

  11. Mookherjee M, Steinle-Neumann G (2009) Deeply subducted crust from the elasticity of hollandite. Earth Planet Sci Lett 288:349–358

    CAS  Google Scholar 

  12. Sekine T, Rubin AM, Ahrens TJ (1991) Shock wave equation of state of muscovite. J Geophys Res 96:19675–19680

    Google Scholar 

  13. Domanik KJ, Holloway JR (1996) The stability and composition of phengitic muscovite and associated phases from 5.5 to 11 GPa. Implications for deeply subducted sediments. Geochim Cosmochim Acta 60:4133–4150

    CAS  Google Scholar 

  14. Domanik KJ, Holloway JR (2000) Experimental synthesis and phase relations of phengitic muscovite from 6.5 to 11 GPa in a calcareous methapelite from the Dabie mountains, China. Lithos 52:51–77

    CAS  Google Scholar 

  15. Yoder HS, Eugster HP (1954) Phlogopite synthesis and stability range. Geochim Cosmochim Acta 6:167–185

    Google Scholar 

  16. Yoder HS, Kushitro I (1969) Melting of a hydrous phase: phlogopite. Am J Sci 267(A):558–583

    Google Scholar 

  17. Kushiro I, Akimoto S, Syono Y (1967) Stability of phlogopite at high pressure and possible presence of phlogopite in the earth’s upper mantle. Earth Planet Sci Lett 3:197–203

    CAS  Google Scholar 

  18. Trønnes RG (2002) Stability range and decomposition of potassic richterite and phlogopite end member at 5-15 GPa. Mineral Petrol 74:129–148

    Google Scholar 

  19. Sato K, Katsura T, Ito E (1997) Phase relations of natural phlogopite with and without enstatite up to 8 GPa: implications for the mantle metasomatism. Earth Planet Sci Lett 146:511–526

    CAS  Google Scholar 

  20. Wyllie PJ, Sekine T (1982) Formation of mantle phlogopite in subduction zone hybridization. Contrib Mineral Petrol 79:375–380

    CAS  Google Scholar 

  21. Gill J (1981) Orogenic andesites and plate tectonics. Springer-Verlag, p 390

  22. Hazen RM, Finger LW (1978) The crystal structures and compressibilities of layer minerals at high pressure. II Phlogopite and Chlorite. Am Mineral 63:293–296

    CAS  Google Scholar 

  23. Ortega-Castro J, Hernández-Haro N, Timón V, Sainz-Diaz CI, Hernández-Laguna A (2010) High-pressure behaviour of 2M1 muscovite. Am Mineral 95:249–259. https://doi.org/10.2138/am.2010.3035

    Article  CAS  Google Scholar 

  24. Ullan G, Valdrè G (2015) Density functional investigation of the thermos-physical and thermo-chemical properties of 2M 1 muscovite. Am Mineral 100:935–944

    Google Scholar 

  25. Chheda TD, Mookherjee M, Mainprice D, dos Santos AM, Molaison JJ, Chantel J, Manthilake G, Bassett WA (2014) Structure and elasticity of phlogopite under compression: geophysical implications. Phys Earth Planet Inter 233:1–12

    Google Scholar 

  26. Hernández-Haro N, Muñoz-Santiburcio D, Pérez del Valle C, Ortega-Castro J, Sainz-Díaz CI, Garrido CJ, Hernández-Laguna A (2016) Computational study of pressure behaviour to 6 GPa of the 2M1 muscovite-paragonite series. Am Mineral 101:1207–1216

    Google Scholar 

  27. Hernández-Haro N, Ortega-Castro J, Pérez del Valle C, Muñoz-Santiburcio D, Sainz-Díaz CI, Hernández-Laguna A (2013) Computational study of the elastic behaviour of the 2M1 muscovite-paragonite series. Am Mineral 86:651–664

    Google Scholar 

  28. Hernández-Haro N, Ortega-Castro J, Pruneda M, Sainz-Díaz CI, Hernández-Laguna A (2014) Theoretical study on the influence of the Mg2+ and Al3+ octahedral cations on the vibrational spectra of hydroxyl groups of 2:1 dioctahedral phyllosilicate models. J Mol Model 20:2402, 10 pages

  29. Escamilla-Roa E, Hernández-Laguna A, Sainz-Díaz CI (2013) Cation arrengement in the octahedral and tetrahedral sheets of cis vacant polymorph of dioctahedral 2:1 phyllosilicates by quantum mechanical calculations. Am Mineral 98:724–735

    CAS  Google Scholar 

  30. Briones-Jurado C, Agacino-Valdés E (2009) BrOnsted sites on acid-treated montmorillonites: a theoretical study with probe molecules. J Phys Chem A 113:8994–9001

    CAS  PubMed  Google Scholar 

  31. Wang Q, Zhu C, Yun J, Yang G (2017) Isomorphic substitutions in clay materials and adsorption of metals onto external surfaces: a DFT investigation. J Phys Chem C 121:26722–26732

    CAS  Google Scholar 

  32. Escamilla-Roa E, Huertas FJ, Hernández-Laguna A, Sainz-Díaz CI (2017) A DFT study of the adsorption of glycine in the interlayer space of montmorillonite. Phys Chem Chem Phys 19:14961–14971

    CAS  PubMed  Google Scholar 

  33. Wang Q, Zhu C, Yun J, Hu Q, Yang G (2018) Compositional transformations as well as thermodynamics and mechanism of dissolution for clay minerals. Chem Geol 494:109–116

    CAS  Google Scholar 

  34. Sainz-Díaz CI, Escamilla-Roa E, Hernández-Laguna A (2004) Pyrophyllite dehydroxylation process by first principle calculations. Am Mineral 69:1092–1100

    Google Scholar 

  35. Palin EJ, Dove MT, Redfern SAT, Ortega-Castro J, Sainz-Díaz CI, Hernández-Laguna A (2014) Computer simulations of cations order-disorder in 2:1 dioctahedral phyllosilicates using cation-exchange potentials and Monte Carlo methods. Int J Quantum Chem:114:1257–1286. https://doi.org/10.1002/qua.24703

    CAS  Google Scholar 

  36. Bailey SW (1984) Crystal chemistry of the true micas. Mineral Soc Am Rev Mineral 13:13–60

    CAS  Google Scholar 

  37. Sánchez-Portal D, Ordejón P, Artacho E, Soler JM (1997) Density-functional method for very large systems with LCAO basis sets. Int J Quantum Chem 65:453–461

    Google Scholar 

  38. Artacho E, Sánchez-Portal D, Ordejón P, García A, Soler JM (1999) Linear-scaling ab-initio calculations for large and complex systems. Phys Status Solidi B 215:809–817

    CAS  Google Scholar 

  39. Soler JM, Artacho E, Gale JD, García A, Junquera J, Ordejón P, Sánchez-Portal D (2002) The SIESTA method for ab-initio order-N materials simulation. J Phys Condens Matter 14:2745–2779

    CAS  Google Scholar 

  40. Giannozzi P, Baroni S, Bonini, N., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D., Chiarotti GL, Cococcioni M, Dabo I, Dal Corso A, de Gironcoli S, Fabris S, Fratesi G, Gebauer R, Gerstmann U, Gougoussis C, Kokalj A, Lazzeri M, Martin-Samos L, Marzari N, Mauri F, Mazzarello R, Paolini S, Pasquarello A, Paulatto L, Sbraccia C, Scandolo S, Sclauzero G, Seitsonen AP, Smogunov A, Umari P, and Wentzcovitch RM (2009) QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. J. Phys.: Condens. Matter 21:395502

    PubMed  Google Scholar 

  41. Giannozzi P, Andreussi O, Brumme T, Bunau O, Nardelli MB, Calandra M, Car R, Cavazzoni C, Ceresoli D, Cococcioni M, Colonna N, Carnimeo I, Dal Corso A, de Gironcoli S, Delugas P, DiStasio Jr RA, Ferretti A, Floris A, Fratesi G, Fugallo G, Gebauer R, Gerstmann U, Giustino F, Gorni T, Jia J, Kawamura M, Ko H-Y, Kokalj A, Küçükbenli E, Lazzeri M, Marsili M, Marzari N, Mauri F, Nguyen NL, Nguyen H-V, Otero-de-la-Roza A, Paulatto L, Poncé S, Rocca D, Sabatini R, Santra B, Schlipf M, Seitsonen AP, Smogunov A, Timrov I, Thonhauser T, Umari P, Vast N, Wu X, Baroni S (2017) Advanced capabilities for materials modelling with quantum ESPRESSO. J Phys Condens Matter 29, 465901

    CAS  PubMed  Google Scholar 

  42. Perdew JP, Burke K, Ernzerhof M (1996) Generalized gradient approximation made simple. Phys Rev Lett 77:3865–3868

    CAS  Google Scholar 

  43. Troullier N, Martins JL (1991) Efficient pseudopotentials for plane-wave calculations. Phys Rev B 43:1993–2006

    CAS  Google Scholar 

  44. Ortega-Castro J, Hernández-Haro N, Hernández-Laguna A, Sainz-Díaz CI (2008) DFT calculation of crystallographic properties of dioctahedral 2:1 phyllosilicates. Clay Miner 43:351–361

    CAS  Google Scholar 

  45. Ortega-Castro J, Hernández-Haro N, Muñoz-Santiburcio D, Hernández-Laguna A, Sainz-Díaz CI (2009) Crystal structure and hydroxyl group vibrational frequencies of phyllosilicates by DFT methods. J Mol Struct THEOCHEM 912:82–87. https://doi.org/10.1016/j.theochem.2009.02.013

    Article  CAS  Google Scholar 

  46. Ceperley DM, Alder BJ (1980) Ground state of the electron gas by a stochastic method. Phys Rev Lett 45:566–569

    CAS  Google Scholar 

  47. White CE, Provis JL, Riley DP, Kearley GJ, van Deventer JSJ (2009) What is the structure of kaolinite? Reconciling theory and experiment. J Phys Chem B 113:6756–6765

    CAS  PubMed  Google Scholar 

  48. Tunega D, Bučo T, Zaoui A (2012) Assessment of ten DFT methods in predicting structures of sheet silicates: importance of dispersion corrections. J Chem Phys 137:114105

    PubMed  Google Scholar 

  49. Blöchl PE (1994) Projector augmented-wave method. Phys Rev B 50:17953–17979

    Google Scholar 

  50. Becke AD (1986) On the large-gradient behavior of the density functional exchange energy. J Chem Phys 85:7184

    CAS  Google Scholar 

  51. Becke AD, Johnson ER (2007) Exchange-hole dipole moment and the dispersion interaction revisited. J Chem Phys 127:154108

    PubMed  Google Scholar 

  52. de-la Roza AO, Johnson ER (2012) Van der Waals interactions in solids using the exchange-hole dipole moment model. J Chem Phys 136:174109

    Google Scholar 

  53. Dal Corso A., Pseudopotential Periodic Table: From H to Pu (2014) Comput Mater Sci 95, 337

    CAS  Google Scholar 

  54. Angel RJ (2000) Equations of state. In: Hazen RM, Downs RT (eds) High-pressure and high-temperature crystal chemistry Review in Mineralogy and Geochemistry, vol 41, pp 35–60

    Google Scholar 

  55. Angel RJ, Gonzalez-Platas J, Alvaro M (2014) Eosfit7c and a Fortran module (library) for equation of state calculations (2014) Z. Kristallogr. 229(5): 405–419. http://www.ccp14.ac.uk/ccp/web-mirrors/ross-angel/rja/soft/

  56. Guggenheim EA (1937) Theoretical basis of Raoult’s law. Trans Faraday Soc 33:151–159

    CAS  Google Scholar 

  57. Redlich O, Kister T (1948) Algebraic representation of thermodynamic properties and the classification of solutions. Ind Eng Chem 40:345–348

    Google Scholar 

  58. Ganguly J (2008) Thermodynamics in earth and planetary sciences. Springer, Heidelberg

    Google Scholar 

  59. Roux J, Hovis GL (1996) Thermodynamic mixing model for muscovite-paragonite solutions based on solutions calorimetric and phase equilibrium data. J Petrol 57:1241–1254

    Google Scholar 

  60. Slaughter M (1966) Chemical binding in silicate minerals. Geochim Cosmochim Acta 30:299–339

    CAS  Google Scholar 

  61. Yu J-Y (1994) Theoretical calculation of Gibbs free energy of mixing between phlogopite and eastonite. J Geol Soc Korea 30:578–590

    Google Scholar 

  62. Yu J-Y (1997) Theoretical calculation of Gibbs free energy of mixing biotite: phlogopite-annite-eastonite-siderophyllite system. Geosci J 1:179–188

    Google Scholar 

  63. Helgeson HC, Delany JM, Nesbitt HW, Bird DK (1978) Summary and critique thermodynamic properties of rock forming minerals. Am J Sci 278A:1–229

    Google Scholar 

  64. Holland TJB, Powell R (2011) An improved and extended internally consistent thermodynamic dataset for phases of petrological interest, involving a new equation of state for solids. J Metamorph Geol 29:333–383

    CAS  Google Scholar 

  65. Price JG (1985) Ideal site mixing in solid solutions, with an application to two-feldspar geothermometry. Am Mineral 70:696–701

    CAS  Google Scholar 

  66. Nordstrom DK, Munoz JL (1985) Geochemical thermodinamycs. Benjamin /Cummings Publishing Co. Inc., Menlo Park 0-8053-6816-7

    Google Scholar 

  67. Pavese A, Levy D, Curetti N, Diella V, Fumagalli P, Sani A (2003) Equation of state and compressibility of phlogopite by in-situ high-pressure X-ray powder diffraction. Eur J Mineral 15:455–463

    CAS  Google Scholar 

  68. Comodi P, Fumagalli P, Montagnoli M, Zanazzi PF (2004) A single-crystal study on the pressure behavior of phlogopite and petrological implications. Am Mineral 89:647–653

    CAS  Google Scholar 

  69. Scordari F, Schingaro E, Mesto E, Lacalamita M (2012) 2M 1 –phlogopite from Black Hills (South Australia): the first case of configurational polytype in micas. Am Mineral 97:2016–2023

    CAS  Google Scholar 

  70. Burnham CW, Radoslovich EW (1964) Crystal structure of coexisting muscovite and paragonite. Carnegie Inst Wash Year Books 63:232–236

    CAS  Google Scholar 

  71. Rothbauer R (1971) Untersuchung eines 2M1-muskovits mit neutronenstrahlen. Neues Jb Mineral Monat 1971:143–154

    Google Scholar 

  72. Guggenheim S, Chang Y-H, Koster van Groos AF (1987) Muscovite dehydroxylation: high-temperature studies. Am Mineral 72:537–550

    CAS  Google Scholar 

  73. Catti M, Ferraris G, Ivaldi G (1989) Thermal strain analysis in the crystal structure of muscovite 2M1 at 700 °C. Eur J Mineral 1:625–632

    CAS  Google Scholar 

  74. Catti M, Ferraris G, Hull S, Pavese A (1994) Powder neutron diffraction study of 2M1 muscovite at room pressure and at 2 GPa. Eur J Mineral 6:171–178

    CAS  Google Scholar 

  75. Guidotti CV, Mazzoli C, Sassi FP, Blencoe JG (1992) Compositional controls on the cell dimensions of 2M1 muscovite and paragonite. Eur J Mineral 4:283–297

    CAS  Google Scholar 

  76. Brigatti MF, Frigieri P, Poppi L (1998) Crystal chemistry of Mg-, Fe-bearing muscovites-2M 1. Am Mineral 83:775–785

    CAS  Google Scholar 

  77. Mookherjee M, Redfern SAT, Zhang M (2001) Thermal response of structure and hydroxyl ion of phengite-2M 1: an in situ, neutron diffraction and FTIRstudy. Eur J Mineral 13:545–555

    CAS  Google Scholar 

  78. Mookherjee M, Redfern SAT (2002) A high-temperature Fourier transform infrared study of the interlayer and Si-O-stretching region in phengite-2M 1. Clay Miner 37:323–336

    CAS  Google Scholar 

  79. Comodi P, Zanazzi PF (1995) High-pressure structural study of muscovite. Phys Chem Miner 22:170–177

  80. Comodi P, Zanazzi PF (1997) Pressure dependence of structural parameters of paragonite. Phys Chem Miner 24:274–280

    CAS  Google Scholar 

  81. Vaughan MT, Guggenheim S (1986) Elasticity of muscovite and its relationship to crystal structure. J Geophys Res 91:4657–4664

    CAS  Google Scholar 

  82. Anderson OL (1995) Equation of state of solids for geophysical and ceramic science. Oxford University Press, Oxford monographs on geology and geophysics 0-19-505606-X

    Google Scholar 

  83. Ferraris C, Grobety B, Weissicken R (2001) Phlogopite exsolutions within muscovite: a first evidence for a higher-temperature re-equilibration, studied by HRTEM and AEM techniques. Eur J Mineral 13:15–26

    CAS  Google Scholar 

  84. Molina-Montes E, Donadio D, Hernández-Laguna A, Sainz-Díaz CI, Parrinello M (2008a) DFT research on the dehydroxylation reaction of Pyrophyllite. 1. First principle molecular dynamics simulations. J Phys Chem B 112:7051–7060

    CAS  PubMed  Google Scholar 

  85. Molina-Montes E, Donadio D, Hernández-Laguna A, Sainz-Díaz I (2008b) DFT research on the dehydroxylation reaction of Pyrophyllite. 2. Characterization of reactants, intermediates and transition states along the reaction path. J Chem Phys A 112:6373–7383

    CAS  Google Scholar 

  86. Molina-Montes E, Timón V, Hernández-Laguna A, Sainz-Díaz CI (2008c) Dehydroxylation mechanisms in Al3+/Fe3+ dioctahedral phyllosilicates by quantum mechanical methods with cluster models. Geochim Cosmochim Acta 72:3929–3938

    CAS  Google Scholar 

  87. Molina-Montes E, Donadio D, Hernández-Laguna A, Parrinello M, Sainz-Díaz CI (2013) Water release from pyrophyllite during the dehydroxylation process explored by quantum mechanical simulations. J Phys Chem C 117:7526–7532

    CAS  Google Scholar 

  88. Muñoz-Santiburcio D, Kosa M, Hernández-Laguna A, Sainz-Díaz CI, Parrinello M (2012) Ab initio molecular dynamics study of the Dehydroxylation Reaction in a Smectite model. J Phys Chem C 116:12203–12211

    Google Scholar 

  89. Muñoz-Santiburcio D, Hernández-Laguna A, Sainz-Díaz CI (2016) Simulating the Dehydroxylation reaction in Smectite models by Car−Parrinello-like−born−Oppenheimer molecular dynamics and Metadynamics. J Phys Chem C 120:28186–28192

    Google Scholar 

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Acknowledgements

The authors thank the “Centro de Supercomputación de Galicia” (CESGA) and “Centro de Servicios de Informática y Redes de Comunicaciones (CSIRC), Universidad de Granada” for providing the computing time. The authors are thankful to F. Muñoz-Izquierdo, J. Rodríguez-Fernández, and M. Mookherjee for fruitful suggestions. This work was supported by Spanish MCINN and European FEDER grants CGL2008-02850/BTE, FIS2013-48444-C2-2P, FIS2016-77692-C2-2P, and PCIN-2017-098 and by the regional agency “Junta de Andalucía” for the RNM-264, -363, and -1897 PAI-grants.

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Authors and Affiliations

  1. Instituto Andaluz de Ciencias de la Tierra (CSIC-UGR), Av. de las Palmeras 4, 18100 Armilla, Granada, Spain

    Alfonso Hernández-Laguna, Daniel Muñoz-Santiburcio, Antonio Sánchez-Navas, Elizabeth Escamilla-Roa & Claro Ignacio Sainz-Díaz

  2. DCM and ISTerre, Université Grenoble Alpes, 38041, Grenoble Cedex 9, France

    Carlos Pérez del Valle

  3. Departament de Química, Universitat de les Illes Balears, E-07122, Palma de Mallorca, Spain

    Noemí Hernández-Haro & Joaquín Ortega-Castro

  4. CIC nanoGUNE, Tolosa Hiribidea 76, 20018, San Sebastián, Spain

    Daniel Muñoz-Santiburcio

  5. Apoyo a la Docencia - Centro de Servicios de Informática y Redes de Comunicaciones, Universidad de Granada, 18071, Granada, Spain

    Isaac Vidal

  6. Grupo de Modelización y Diseño Molecular, Departamento de Química Orgánica, Facultad de Ciencias, Universidad de Granada, 18071, Granada, Spain

    Isaac Vidal

  7. Departamento de Mineralogía y Petrología, Facultad de Ciencias, Universidad de Granada, 18071, Granada, Spain

    Antonio Sánchez-Navas

  8. Department of Computer Science, Electrical and Space Engineering, Luleå University of Technology, 97187, Luleå, Sweden

    Elizabeth Escamilla-Roa

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  1. Alfonso Hernández-Laguna
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Correspondence to Alfonso Hernández-Laguna.

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Hernández-Laguna, A., Pérez del Valle, C., Hernández-Haro, N. et al. Compressibility of 2M1 muscovite-phlogopite series minerals. J Mol Model 25, 341 (2019). https://doi.org/10.1007/s00894-019-4218-x

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