Skip to content

Crystal Lab › Oxides & frameworks

Ice Ih (oxygen framework) H₂O

Hydrogen-bonded network · space group P6₃/mmc (No. 194) · Z = 4

Open in 3D →

Unit cell

Lattice constants
a = 4.520 Å, b = 4.520 Å, c = 7.360 Å; α = 90°, β = 90°, γ = 120°
Cell volume
130.2 ų
Atoms in the cell
4 (O 4)
Formula units Z
4
Calculated density
0.92 g cm⁻³
Shortest contact
2.760 Å

Coordination

O
CN 4 at 2.76 Å (4 O)

About the structure

  • Only the oxygen framework is shown: the hydrogens are disordered (each O–O line carries one H, placed at random under the Bernal–Fowler rules).
  • Each O is tetrahedrally hydrogen-bonded to four others (O···O 2.76 Å) — the wurtzite/lonsdaleite framework.
  • The open hexagonal channels are why ice is less dense than water.

Atom positions (fractional, one cell)

Atomxyz
O0.33330.66670.0625
O0.66670.33330.5625
O0.66670.33330.9375
O0.33330.66670.4375

Z, coordination numbers, distances, density and packing on this page are computed from these coordinates.

Other oxides & frameworks

Open Ice Ih (oxygen framework) in the 3D viewer →  ·  All structures