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On the P-induced behavior of the zeolite phillipsite: an in situ single-crystal synchrotron X-ray diffraction study

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Abstract

The elastic behavior and the structural evolution at high pressure of a natural phillipsite have been investigated by in situ single-crystal X-ray diffraction up to 9.44 GPa, using a diamond anvil cell and the nominally penetrating P-transmitting fluid methanol:ethanol:water (16:3:1) mix. Although no phase transition was observed within the P-range investigated, two different compressional regimes occur. Between 0.0001 and 2.0 GPa, the refined elastic parameters, calculated by a second-order Birch–Murnaghan equation of state (BM-EoS) fit, are V 0 = 1005(1) Å3, K 0 = 89(8) GPa for the unit-cell volume; a 0 = 9.914(7) Å, K a  = 81(12) GPa for the a-axis; b 0 = 14.201(9) Å, K b  = 50(5) GPa for the b-axis; and c 0 = 8.707(2) Å, K c  = 107(8) GPa for the c-axis (K a :K b :K c ~1.62:1:2.14). Between 2.0 and 9.4 GPa, a P-induced change in the configuration of H2O molecules, coupled with a change in the tilting mechanisms of the framework tetrahedra, gives rise to a second compressional regime, in which the phillipsite structure is softer if compared to the first compressional range. In the second compressional regime, the refined elastic parameters, calculated by a second-order BM-EoS fit, are V 0 = 1098 (7) Å3, K 0 = 18.8(7) GPa for the unit-cell volume; a 0 = 10.07(3) Å, K a  = 30(2) GPa for the a-axis; b 0 = 14.8(1) Å, K b  = 11(1) GPa for the b-axis; and c 0 = 8.94(2) Å, K c  = 21(1) GPa for the c-axis (K a :K b :K c ~2.72:1:1.90). The evolution of the monoclinic β angle with pressure shows two distinct trends in the two compressional regimes: with a negative slope between 0.0001 and 2.0 GPa, and a positive slope between 2.0 and 9.4 GPa. The mechanisms, at the atomic scale, that govern the two compressional regimes of the phillipsite structure are described.

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Acknowledgments

The authors acknowledge the Italian Ministry of Education, MIUR-Project: “Futuro in Ricerca 2012—ImPACT—RBFR12CLQD.” DESY—PETRA III (Hamburg) is thanked for the allocation of beamtime. Y. Lee is thanked for the sample of phillipsite from Richmond, Victoria, Australia. Two anonymous reviewers are thanked for their constructive suggestions.

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Authors and Affiliations

  1. Dipartimento di Scienze della Terra, Università degli Studi di Milano, Via Botticelli 23, 20133, Milan, Italy

    Davide Comboni, G. Diego Gatta & Marco Merlini

  2. CNR - Istituto di Cristallografia, Sede di Bari, Via G. Amendola 122/O, Bari, Italy

    G. Diego Gatta

  3. ELETTRA, Sincrotrone Trieste S.c.P.A., Strada Statale 14 km 163.5, 34149, Basovizza, Trieste, Italy

    Paolo Lotti

  4. DESY, Photon Science, PETRA III, Notkestr. 85, 22607, Hamburg, Germany

    Hanns-Peter Liermann

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  1. Davide Comboni
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  2. G. Diego Gatta
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  3. Paolo Lotti
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  4. Marco Merlini
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  5. Hanns-Peter Liermann
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Correspondence to G. Diego Gatta.

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Comboni, D., Gatta, G.D., Lotti, P. et al. On the P-induced behavior of the zeolite phillipsite: an in situ single-crystal synchrotron X-ray diffraction study. Phys Chem Minerals 44, 1–20 (2017). https://doi.org/10.1007/s00269-016-0832-7

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  • DOI: https://doi.org/10.1007/s00269-016-0832-7

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