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17. P. Perakis, K. Amann-Winkel, F. Lehmkühler, M. Sprung, D. Mariedahl, J.A. Sellberg, H.
Pathak, A. Späh, F. Cavalca, D. Schlesinger, A. Ricci, A. Jain, B. Massani, F. Aubree, C.J.
Benmore, T. Loerting, G. Grübel, L.G.M. Pettersson, A. Nilsson, Diffusive dynamics during
the high-to-low density transition in amorphous ice. PNAS. 114, 8193–8198 (2017)
18. Ya. Frenkel, Kinetic Theory of Liquids (Clarendon Press, Oxford, 1946)
19. F. Rinne, Das kristallsystem und das Achsenverhältnis des Eises. Ges. Wiss. Math. Phys. 69,
57–62 (1917)
20. W.H. Bragg, The crystal structure of ice. Proc. Phys. Soc. London 34, 98–103 (1921)
21. D. Starodub, P. Rez, G. Hembree, M. Howells, D. Shapiro, H. Chapman, P. Fromme, K.
Schmidt, U. Weierstall, R.B. Doak, J.C.H. Spence, Dose, exposure time and resolution in
serial X-ray crystallography. J. Synch. Rad. 15, 62–73 (2007)
22. M.F. Chaplin, Structure and properties of water in its various states, in Encyclopedia of Water:
Science, Technology, and Society, ed. P. A. Maurice (Wiley, 2019)
23. P.G. Owston, Diffuse scattering of X-rays by ice. Acta Crystallogr. 2, 222–228 (1949)
24. A. Kiselev, F. Bachmann, P. Pedevilla, S.J. Cox, A. Michaelides, D. Gerthsen, T. Leisner,
Active sites in heterogeneous ice nucleation-the example of K-rich feldspars. Science 355,
367–371 (2017)
25. P.G. Owston, The structure of ice-I, as determined by x-ray and neutron diffraction analysis.
Adv. Phys. 7, 171–188 (1958)
26. N. Bjerrum, Structure and properties of ice. Science 115, 385–390 (1952)
27. K. Itagaki, Self-diffusion in single crystal ice. J. Phys. Soc. Jpn. 22, 427–431 (1967)
28. R. Hanaoka, S. Takata, Y. Nakagami, Electrical treeing in hexagonal ice crystals under applied
impulse voltage. IEEE Trans. Diel. Electr. Insul. 11, 939–945 (2004)
29. L. Pauling, The structure and entropy of ice and of other crystals with some randomness of
atomic arrangement. J. Am. Chem. Soc. 57, 2680–2684 (1935)
30. L. Pauling, The Nature of Chemical Bond, 3th ed (Cornell University Press, New York, 1960)
31. H.R. Zelsmann, Temperature dependence of the optical constants for liquid H 2 O and D 2 O in
the far IR region. J. Molecul. Struct. 350, 95–114 (1995)
32. V.G. Artemov, E. Uykur, P.O. Kapralov, A. Kiselev, K. Stevenson, H. Ouerdane, M. Dressel,
Anomalously high proton conduction of interfacial water. J. Phys. Chem. Lett. 11, 3623–3628
(2020)
33. G.N.I. Clark, C.D. Cappa, J.D. Smith, R.J. Saykally, T. Head-Gordon, Invited topical review:
the structure of ambient water. Mol. Phys. 108, 1415–1433 (2010)
34. M. Leetmaa, K.T. Wikfeldt, M.P. Ljungberg, M. Odelius, J. Swenson, A. Nilsson, L.G. Pettersson, Diffraction and IR/Raman data do not prove tetrahedral water. J. Chem. Phys. 129
(2008)
35. A.N. Tikhonov, V.Y. Arsenin, Solutions of Ill-Posed Problems (Winston, New York, 1977)
36. T. Head-Gordon, G. Hura, Water structure from scattering experiments and simulation. Chem.
Rev. 102, 2651–2670 (2002)
37. G. Camisasca, H. Pathak, K.T. Wikfeldt, L.G.M. Pettersson, Radial distribution functions of
water: models vs experiments. J. Chem. Phys. 151, 044502–9 (2019)
38. H. Takeuchi, M. Nakagawa, T. Saito, T. Egawa, K. Tanaka, S. Konaka, X-ray scattering by
water molecules studied by using synchrotron radiation. Int. J. Quant. Chem. 52, 1339–1348
(1994)
39. A. Guinier, X-ray Diffraction In Crystals, Imperfect Crystals, and Amorphous Bodies (Dover,
New York, 1963)
40. A.K. Soper, Tests of the empirical potential structure refinement method and a new method
of application to neutron diffraction data on water. Molecul. Phys. 99, 1503–1516 (2001)
41. S. Katzoff, X-ray studies of the molecular arrangement in liquids. J. Chem. Phys. 2, 841
(1934)
42. A.K. Soper, The radial distribution functions of water as derived from radiation total scattering
experiments: is there anything we can say for sure? ISRN Phys. Chem. 2013, 1–67 (2013)
45
16. A. Taschin, P. Bartolini, R. Eramo, R. Righini, R. Torre, Evidence of two distinct local structures of water from ambient to supercooled conditions. Nat. Comm. 4, 2401–8 (2013)
17. P. Perakis, K. Amann-Winkel, F. Lehmkühler, M. Sprung, D. Mariedahl, J.A. Sellberg, H.
Pathak, A. Späh, F. Cavalca, D. Schlesinger, A. Ricci, A. Jain, B. Massani, F. Aubree, C.J.
Benmore, T. Loerting, G. Grübel, L.G.M. Pettersson, A. Nilsson, Diffusive dynamics during
the high-to-low density transition in amorphous ice. PNAS. 114, 8193–8198 (2017)
18. Ya. Frenkel, Kinetic Theory of Liquids (Clarendon Press, Oxford, 1946)
19. F. Rinne, Das kristallsystem und das Achsenverhältnis des Eises. Ges. Wiss. Math. Phys. 69,
57–62 (1917)
20. W.H. Bragg, The crystal structure of ice. Proc. Phys. Soc. London 34, 98–103 (1921)
21. D. Starodub, P. Rez, G. Hembree, M. Howells, D. Shapiro, H. Chapman, P. Fromme, K.
Schmidt, U. Weierstall, R.B. Doak, J.C.H. Spence, Dose, exposure time and resolution in
serial X-ray crystallography. J. Synch. Rad. 15, 62–73 (2007)
22. M.F. Chaplin, Structure and properties of water in its various states, in Encyclopedia of Water:
Science, Technology, and Society, ed. P. A. Maurice (Wiley, 2019)
23. P.G. Owston, Diffuse scattering of X-rays by ice. Acta Crystallogr. 2, 222–228 (1949)
24. A. Kiselev, F. Bachmann, P. Pedevilla, S.J. Cox, A. Michaelides, D. Gerthsen, T. Leisner,
Active sites in heterogeneous ice nucleation-the example of K-rich feldspars. Science 355,
367–371 (2017)
25. P.G. Owston, The structure of ice-I, as determined by x-ray and neutron diffraction analysis.
Adv. Phys. 7, 171–188 (1958)
26. N. Bjerrum, Structure and properties of ice. Science 115, 385–390 (1952)
27. K. Itagaki, Self-diffusion in single crystal ice. J. Phys. Soc. Jpn. 22, 427–431 (1967)
28. R. Hanaoka, S. Takata, Y. Nakagami, Electrical treeing in hexagonal ice crystals under applied
impulse voltage. IEEE Trans. Diel. Electr. Insul. 11, 939–945 (2004)
29. L. Pauling, The structure and entropy of ice and of other crystals with some randomness of
atomic arrangement. J. Am. Chem. Soc. 57, 2680–2684 (1935)
30. L. Pauling, The Nature of Chemical Bond, 3th ed (Cornell University Press, New York, 1960)
31. H.R. Zelsmann, Temperature dependence of the optical constants for liquid H 2 O and D 2 O in
the far IR region. J. Molecul. Struct. 350, 95–114 (1995)
32. V.G. Artemov, E. Uykur, P.O. Kapralov, A. Kiselev, K. Stevenson, H. Ouerdane, M. Dressel,
Anomalously high proton conduction of interfacial water. J. Phys. Chem. Lett. 11, 3623–3628
(2020)
33. G.N.I. Clark, C.D. Cappa, J.D. Smith, R.J. Saykally, T. Head-Gordon, Invited topical review:
the structure of ambient water. Mol. Phys. 108, 1415–1433 (2010)
34. M. Leetmaa, K.T. Wikfeldt, M.P. Ljungberg, M. Odelius, J. Swenson, A. Nilsson, L.G. Pettersson, Diffraction and IR/Raman data do not prove tetrahedral water. J. Chem. Phys. 129
(2008)
35. A.N. Tikhonov, V.Y. Arsenin, Solutions of Ill-Posed Problems (Winston, New York, 1977)
36. T. Head-Gordon, G. Hura, Water structure from scattering experiments and simulation. Chem.
Rev. 102, 2651–2670 (2002)
37. G. Camisasca, H. Pathak, K.T. Wikfeldt, L.G.M. Pettersson, Radial distribution functions of
water: models vs experiments. J. Chem. Phys. 151, 044502–9 (2019)
38. H. Takeuchi, M. Nakagawa, T. Saito, T. Egawa, K. Tanaka, S. Konaka, X-ray scattering by
water molecules studied by using synchrotron radiation. Int. J. Quant. Chem. 52, 1339–1348
(1994)
39. A. Guinier, X-ray Diffraction In Crystals, Imperfect Crystals, and Amorphous Bodies (Dover,
New York, 1963)
40. A.K. Soper, Tests of the empirical potential structure refinement method and a new method
of application to neutron diffraction data on water. Molecul. Phys. 99, 1503–1516 (2001)
41. S. Katzoff, X-ray studies of the molecular arrangement in liquids. J. Chem. Phys. 2, 841
(1934)
42. A.K. Soper, The radial distribution functions of water as derived from radiation total scattering
experiments: is there anything we can say for sure? ISRN Phys. Chem. 2013, 1–67 (2013)