Monthly Archives: April 2018

Ice Ic

Ice Ic ( Ice one cubic)

  • can be formed by condensation of water vapour at reduced pressure well below -80 °C
  • is metastable with respect to Ice Ih (approx. + 50 J/mol)
  • it seems to be very difficult to grow large phase-pure Ic ice crystals; they contain, to a certain extent stacking-disordered or hexagonal ice

Structural features:

  • like hexagonal ice cubic ice is a proton-disordered phase
  • every water molecule is involved in 4 H-bonds (2 acceptors, 2 donors)
  • tetrahedrally coordinated
  • O-D bond length approx. 101 pm
  • D …. O-D distance approx. 174 pm
  • O … O distance approx. 275 pm
  • 6-membered rings (exclusively chair conformation)

  • sometimes also called “cristobalite ice” because the oxygen atoms occupy the Si analogeous positions in the SiO2 phase cristobalite
  • it would be also justified to call it diamond-like ice 🙂
  • Space group Fd-3m
    • a = b = c = 6.3510 Å
    • α = β = γ = 90°

 

  Here, you can download the CIF.

[Atomic structure figures created with VESTA:
K. Momma and F. Izumi, “VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data,” J. Appl. Crystallogr.44, 1272-1276 (2011).]

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Ice Ih

Ice Ih (Ice one hexagonal)

Structural features:

  • single molecule and molecular arrangement

  • Ice Ih is a proton-disordered phase

  • every water molecule is involved in 4 H-bonds (2 acceptors, 2 donors)
  • tetrahedrally coordinated
  • O-H bond length approx. 99 pm
  • H …. O-H distance approx. 175 pm
  • O … O distance approx. 275 pm
  • H-bond strength: approx. 21 kJ/mol
  • 6-membered rings
    • chair-like conformation in the (a,b) plane
    • boat-like conformation along the c direction

(graphic created with VESTA:
K. Momma and F. Izumi, “VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data,” J. Appl. Crystallogr.44, 1272-1276 (2011).

  • sometimes called “tridymite ice” because the oxygen atoms occupy the Si analogeous positions in the SiO2 phase tridymite
  • Space group P63/mmc
    • a = b = 4.4975 Å, c = 7.3224 Å
    • α = β = 90°, γ = 120°

 Here, you can download the CIF.