Ice Ih

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Ice Ih (hexagonal ice) is a proton disordered ice phase having the space group P63/mmc. Ice Ih has the following lattice parameters at 250 K: a=4.51842 Å, b=a\sqrt3, and c=7.35556 Å with four molecules per unit cell (in Table 3 of [1]). The proton ordered form of ice Ih is known as ice XI, which (in principle) forms when ice Ih is cooled to below 72K (it is usually doped with KOH to aid the transition).

Melting point

The following is a collection of melting points (T_m) for the ice Ih-water transition:

T_m Pressure Technique/model Reference
232(4)~K 1 bar TIP4P / free energy calculation [2]
272(6)~K 1 bar TIP4P/Ice / free energy calculation [2]
232(4)~K 1 bar TIP4P/Ew / free energy calculation [2]
232(4)~K 1 bar SPC/E / free energy calculation [2]
252(6)~K 1 bar TIP4P/2005 / free energy calculation [2]
417\pm 3~K 2500 bar Perdew-Burke-Ernzerhof functional [3]
411 \pm 4~K 10,000 bar Becke-Lee-Yang-Parr functional [3]

Radial distribution function

Phonon density of states

In [4] the phonon density of states for the POL1, TIPS2, TIP4P, TIP3P, SPC, Rowlinson, MCY, and BF models for water are compared to experiment.

Experimental data

References

Related reading