The Preparation and Structures of Hydrogen Ordered Phases of Ice

  title={The Preparation and Structures of Hydrogen Ordered Phases of Ice},
  author={Christoph G. Salzmann and Paolo G. Radaelli and Andreas Hallbrucker and Erwin Mayer and John L. Finney},
  pages={1758 - 1761}
Two hydrogen ordered phases of ice were prepared by cooling the hydrogen disordered ices V and XII under pressure. Previous attempts to unlock the geometrical frustration in hydrogen-bonded structures have focused on doping with potassium hydroxide and have had success in partially increasing the hydrogen ordering in hexagonal ice I (ice Ih). By doping ices V and XII with hydrochloric acid, we have prepared ice XIII and ice XIV, and we analyzed their structures by powder neutron diffraction… 
Detailed crystallographic analysis of the ice V to ice XIII hydrogen-ordering phase transition.
Interestingly, the partial hydrogen order already present in ice V is found to perpetuate into ice XIII, and these ordering processes are found to be independent of pressure, which appears to be the origin of the slower hydrogen-ordering kinetics under pressure.
Proton ordering in cubic ice and hexagonal ice; a potential new ice phase--XIc.
It is found that the most stable arrangement of water molecules in cubic ice is isoenergetic with that of the proton ordered form of hexagonal ice (known as ice XI), indicating a potential new polytype of ice XI as XIc and a possible route for preparing ice XIc.
Detailed crystallographic analysis of the ice VI to ice XV hydrogen ordering phase transition.
Using a new modelling approach, the atomistic reconstruction of a supercell structure that is consistent with the average partially ordered structure derived from Rietveld refinements is achieved, showing that C-type networks are most prevalent in ice XV, but other structural motifs outside of the classifications of the fully hydrogen-ordered networks are identified as well.
Hydrogen bond ordering in ice V and the transition to ice XIII.
The proton ordered version of ice V, ice XIII, was recently identified using Raman spectroscopy and neutron diffraction techniques and effective spin-lattice Hamiltonians governing hydrogen bond fluctuations are developed, which are in qualitative agreement with experiment.
Hydrogen bond topology: order/disorder transitions in ice and the behavior of defects in a disordered ice lattice
To date, fifteen phases of ice have been discovered. Many of these phases occur in pairs consisting of a fully ordered member and a hydrogen bond (H-bond) disordered phase. The disordered phase
Structure and nature of ice XIX
This work presents an example where hydrochloric-acid-doped ice VI undergoes an alternative type of phase transition upon cooling at high pressure as the orientationally disordered ice remains disordered but undergoes structural distortions.
Experimental evidence for the existence of a second partially-ordered phase of ice VI
It is demonstrated that disordered ice undergoes different manners of hydrogen ordering, which are thermodynamically controlled by pressure in the case of ice VI, which opens up the possibility of completing the phase diagram of ice.
Proton ordering and reactivity of ice
Cubic ice Ic is a rarely-observed ambient pressure phase of water implicated in the catalysis of atmospheric reactions. It forms between 160K and 243K, in droplets smaller than 5µm 3µm in diameter.


The structure and ordering of ices III and V
The structures of ices III and V have been studied under their thermodynamic conditions of stability by neutron diffraction. The results clearly indicate partial ordering of the water molecule
Phase transition in KOH-doped hexagonal ice
A few crystals exist which have residual entropy1,2. The most notable of these is hexagonal ice, Ih, the ordinary form of solid H2O (ref. 3). The structural interpretation of the residual entropy
Ice XII in its second regime of metastability
We present neutron powder diffraction results which give unambiguous evidence for the formation of the recently identified new crystalline ice phase [2], labeled ice XII, in completely different
The structure of a new phase of ice
Ice has eleven known crystalline phases (Fig. 1), in which the watermolecules are linked through hydrogen bonds into tetrahedralframeworks. Thisuncommonly large number of different solid phases
Thermal properties of metastable ices IV and XII: comparison, isotope effects and relative stabilities
Pure samples of H2O (D2O) ice IV and of H2O (D2O) ice XII were prepared by isobaric heating of high-density amorphous ice at a rate of ≈0.5 K min−1 up to ≈175 K and a pressure of 0.81 GPa for ice IV,
Structure of ice. V
Ice V, the high-pressure ice phase stable at pressures of about 3 to 6 kbar, density 1.23 g•cm^(-3), has a structure involving 28 H_2O molecules in a monoclinic cell of dimensions ɑ = 9•22, b= 7•54,
How ‘spin ice’ freezes
A cooperative spin-freezing transition leading to the spin-ice ground state in Dy2Ti2O7, a site-ordered magnetic material in which the spins reside on a lattice of corner-sharing tetrahedra where they form an unusual magnetic ground state known as ‘spin ice’ is identified.
A high resolution neutron powder diffraction study of D2O ice XI
The lattice parameters and diffraction peak profiles are presented for KOD‐doped D2O ice both in its low‐temperature ordered state (ice XI) and as a function of temperature through the transition to