Cubic ice Ic without stacking defects obtained from ice XVII.


Journal

Nature materials
ISSN: 1476-4660
Titre abrégé: Nat Mater
Pays: England
ID NLM: 101155473

Informations de publication

Date de publication:
Jun 2020
Historique:
received: 29 06 2019
accepted: 06 01 2020
pubmed: 6 2 2020
medline: 6 2 2020
entrez: 5 2 2020
Statut: ppublish

Résumé

Amongst the more than 18 different forms of water ice, only the common hexagonal phase and the cubic phase are present in nature on Earth. Nonetheless, it is now widely recognized that all samples of 'cubic ice' discovered so far do not have a fully cubic crystal structure but instead are stacking-disordered forms of ice I (namely, ice Isd), which contain both hexagonal and cubic stacking sequences of hydrogen-bonded water molecules. Here, we describe a method to obtain large quantities of cubic ice Ic with high structural purity. Cubic ice Ic is formed by heating a powder of D

Identifiants

pubmed: 32015533
doi: 10.1038/s41563-020-0606-y
pii: 10.1038/s41563-020-0606-y
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

663-668

Subventions

Organisme : Ente Cassa di Risparmio di Firenze (Cash Savings Institution of Florence)
ID : 2016.0801
Organisme : Ministero dell'Istruzione, dell'Università e della Ricerca (Ministry of Education, University and Research)
ID : PRIN 2015HK93L7

Références

Hobbs, P. V. Ice Physics (Oxford Univ. Press, 1974).
Petrenko, V. F. & Whitworth R. W. Physics of Ice (Oxford Univ. Press, 1999).
Salzmann, C. G., Radaelli, P. G., Slater, B. & Finney, J. L. The polymorphism of ice: five unresolved questions. Phys. Chem. Chem. Phys. 13, 18468–18480 (2011).
doi: 10.1039/c1cp21712g
Salzmann, C. G. Advances in the experimental exploration of water’s phase diagram. J. Chem. Phys. 150, 060901 (2019).
doi: 10.1063/1.5085163
Bartels-Rausch, T. et al. Ice structures, patterns, and processes: a view across the icefields. Rev. Mod. Phys. 84, 885 (2012).
doi: 10.1103/RevModPhys.84.885
König, H. Eine kubische eismodifikation. Z. Kristallogr. 105, 279–286 (1943).
doi: 10.1524/zkri.1943.105.1.279
Dowell, L. G. & Rinfret, A. P. Low-temperature forms of ice as studied by X-ray diffraction. Nature 188, 1144–1148 (1960).
doi: 10.1038/1881144a0
Bertie, J. E., Calvert, L. D. & Whalley, E. Transformations of ice II, ice III, and ice V at atmospheric pressure. J. Chem. Phys. 38, 840 (1963).
doi: 10.1063/1.1733772
Bertie, J. E., Calvert, L. D. & Whalley, E. Transformations of ice VI and ice VII at atmospheric pressure. Can. J. Chem. 42, 1373–1378 (1964).
doi: 10.1139/v64-210
Arnold, G. P., Finch, E. D., Rabideau, S. W. & Wenzel, R. G. Neutron-diffraction study of ice polymorphs. III. Ice Ic. J. Chem. Phys. 49, 4354–4369 (1968).
doi: 10.1063/1.1669883
Klotz, S. et al. Metastable ice VII at low temperature and ambient pressure. Nature 398, 681–684 (1999).
doi: 10.1038/19480
Murray, B. J., Knopf, D. A. & Bertram, A. K. The formation of cubic ice under conditions relevant to Earth’s atmosphere. Nature 434, 202–205 (2005).
doi: 10.1038/nature03403
Falenty, A. & Kuhs, W. F. Self-preservation of CO
doi: 10.1021/jp906859a
Falenty, A., Hansen, T. & Kuhs, W. F. in Physics and Chemistry of Ice (ed. Furukawa, Y. et al.) 411– 419 (Hokkaido Univ. Press, 2011).
Baker, J. M., Dore, J. C. & Behrens, P. Nucleation of ice in confined geometry. J. Phys. Chem. B 101, 6226–6229 (1997).
doi: 10.1021/jp963155v
Kuhs, W. F., Sippel, C., Falenty, A. & Hansen, T. C. Extent and relevance of stacking disorder in ice Ic. Proc. Natl Acad. Sci. USA 109, 21259–21264 (2012).
doi: 10.1073/pnas.1210331110
Malkin, T. L., Murray, B. J., Brukhno, A. V., Anwar, J. & Salzmann, C. G. Structure of ice crystallized from supercooled water. Proc. Natl Acad. Sci. USA 109, 1041–1045 (2012).
doi: 10.1073/pnas.1113059109
Malkin, T. L. et al. Stacking disorder in ice I. Phys. Chem. Chem. Phys. 17, 60–76 (2015).
doi: 10.1039/C4CP02893G
Whalley, E. Scheiner’s halo: evidence for ice Ic in the atmosphere. Science 211, 389–390 (1981).
doi: 10.1126/science.211.4480.389
Murphy, D. M. Dehydration in cold clouds is enhanced by a transition from cubic to hexagonal ice. Geophys. Res. Lett. 30, 2230 (2003).
doi: 10.1029/2003GL018566
Murray, B. J. et al. Trigonal ice crystals in earth’s atmosphere. Bull. Am. Meteorol. Soc. 94, 169–186 (2015).
Gronkowski, P. The search for a cometary outbursts mechanism: a comparison of various theories. Astron. Nachr. Astron. Notes 328, 126–136 (2007).
doi: 10.1002/asna.200510657
Hansen, T. C., Koza, M. M. & Kuhs, W. F. Formation and annealing of cubic ice: I. modelling of stacking faults. J. Phys. Condens. Matter 20, 285104 (2008).
doi: 10.1088/0953-8984/20/28/285104
del Rosso, L., Celli, M. & Ulivi, L. A new porous water ice stable at atmospheric pressure obtained by emptying a hydrogen filled ice. Nature Commun. 7, 13394 (2016).
doi: 10.1038/ncomms13394
del Rosso, L. et al. Refined structure of metastable ice XVII from neutron diffraction measurements. J. Phys. Chem. C 120, 26955–26959 (2016).
doi: 10.1021/acs.jpcc.6b10569
del Rosso, L. et al. Dynamics of hydrogen guests in ice XVII nanopores. Phys. Rev. Mater. 1, 065602 (2017).
doi: 10.1103/PhysRevMaterials.1.065602
Giacovazzo, C. et al. Fundamentals of Crystallography. IUCr Texts on Crystallography (Oxford Univ. Press, 1992).
Larson, A. C. & Von Dreele, R. B. General Structure Analysis System (GSAS) Report LAUR 86-748 (Los Alamos National Laboratory, 2004).
Rodriguez-Carvajal, J. Recent advances in magnetic structure determination by neutron powder diffraction. Physica B 192, 55–69 (1993).
doi: 10.1016/0921-4526(93)90108-I
Kuhs, W. F., Bliss, D. & Finney, J. High-resolution neutron powder diffraction study of ice Ic. J. Phys. Colloques 48, 631–636 (1987).
Hansen, T. C., Sippel, C. & Kuhs, W. F. Approximations to the full description of stacking disorder in ice I for powder diffraction. Z. Kristallogr. 230, 75–86 (2015).
Playford, H. Y., Whale, T. F., Murray, B., Tucker, M. G. & Salzmann, C. G. Analysis of stacking disorder in ice I using pair distribution functions. J. Appl. Crystallogr. 51, 1211–1220 (2018).
doi: 10.1107/S1600576718009056
Amaya, A. J. et al. How cubic can ice be?. J. Chem. Phys. Lett. 8, 3216–3222 (2017).
doi: 10.1021/acs.jpclett.7b01142
Röttger, K., Endriss, A., Ihringer, J., Doyle, S. & Kuhs, W. F. Lattice constants and thermal expansion of H
doi: 10.1107/S0108768194004933
Fortes, A. D. Accurate and precise lattice parameters of H
doi: 10.1107/S2052520618002159
Treacy, M. M. J., Newsam, J. M. & Deem, M. W. A general recursion method for calculating diffracted intensities from crystals containing planar faults. Proc. R. Soc. Lond. A 433, 499–520 (1991).
doi: 10.1098/rspa.1991.0062
Pimentel, G. C. & Sederholm, C. H. Correlation of infrared stretching frequencies and hydrogen bond distances in crystals. J. Chem. Phys. 24, 639–641 (1956).
doi: 10.1063/1.1742588
Pruzan, P. Pressure effects on the hydrogen bond in ice up to 80 GPa. J. Mol. Struct. 322, 279–286 (1994).
doi: 10.1016/0022-2860(94)87045-4
Vos, W. L., Finger, L. W., Hemley, R. J. & Mao, H. K. Pressure dependence of hydrogen bonding in a novel H
doi: 10.1016/0009-2614(96)00583-0
Carr, T. H. G., Shephard, J. J. & Salzmann, C. G. Spectroscopic signature of stacking disorder in ice I. J. Phys. Chem. Lett. 5, 2469–2473 (2014).
doi: 10.1021/jz500996p
Komatsu, K. et al. Ice I
Handa, Y. P., Klug, D. D. & Whalley, E. Difference in energy between cubic and hexagonal ice. J. Chem. Phys. 84, 7009 (1986).
doi: 10.1063/1.450622
Engel, E. A., Monserrat, B. & Needs, R. J. Anharmonic nuclear motion and the relative stability of hexagonal and cubic ice. Phys. Rev. X 5, 021033 (2015).
Raza, Z. et al. Proton ordering in cubic ice and hexagonal ice; a potential new ice phase–XIc. Phys. Chem. Chem. Phys. 13, 19788–19795 (2011).
doi: 10.1039/c1cp22506e
Giannasi, A., Celli, M., Grazzi, F., Ulivi, L. & Zoppi, M. An apparatus for simultaneous thermodynamic and optical measurements with large temperature excursions. Rev. Sci. Instrum. 79, 13105 (2008).
doi: 10.1063/1.2830939
Ulivi, L., Grazzi, F., Colognesi, D., del Rosso, L. & Celli, M. Structures of Metastable Water Ice XVII with Different Guests Molecules (STFC ISIS Neutron and Muon Source, 2018); https://doi.org/10.5286/ISIS.E.RB1820334
Arnold, O. et al. Mantid–data analysis and visualization package for neutron scattering and μ SR experiments. Nucl. Instrum. Meth. A 764, 156–166 (2014).
doi: 10.1016/j.nima.2014.07.029
Catti, M. et al. Ne- and O
doi: 10.1039/C9CP02218J
Ulivi, L. et al. Structure of Refilled Metastable Water Ice XVII (Institut Laue-Langevin, 2018); https://doi.org/10.5291/ILL-DATA.5-22-759
Ulivi, L. and Hansen, T. C. Transformations of Stacking-pure Ice Ic into Ice Ih (Institut Laue-Langevin, 2019); https://doi.org/10.5291/ILL-DATA.EASY-498

Auteurs

Leonardo Del Rosso (L)

Consiglio Nazionale delle Ricerche, Istituto di Fisica Applicata 'Nello Carrara', Sesto Fiorentino, Italy. l.delrosso@ifac.cnr.it.

Milva Celli (M)

Consiglio Nazionale delle Ricerche, Istituto di Fisica Applicata 'Nello Carrara', Sesto Fiorentino, Italy.

Francesco Grazzi (F)

Consiglio Nazionale delle Ricerche, Istituto di Fisica Applicata 'Nello Carrara', Sesto Fiorentino, Italy.

Michele Catti (M)

Dipartimento di Scienza dei Materiali, Università di Milano Bicocca, Milano, Italy.

Thomas C Hansen (TC)

Institut Laue-Langevin (ILL), Grenoble, France.

A Dominic Fortes (AD)

ISIS Neutron and Muon Facility, Rutherford Appleton Laboratory, Harwell Science and Innovation Campus, Chilton, UK.

Lorenzo Ulivi (L)

Consiglio Nazionale delle Ricerche, Istituto di Fisica Applicata 'Nello Carrara', Sesto Fiorentino, Italy. l.ulivi@ifac.cnr.it.

Classifications MeSH