Crystal Lab › Oxides & frameworks
Ice Ih (oxygen framework) H₂O
Hydrogen-bonded network · space group P6₃/mmc (No. 194) · Z = 4
Symmetry elements and Wyckoff positions (interactive)
Ice Ih (oxygen framework) in P6₃/mmc
SettingLoading the group…
x = 0.10, y = 0.17, z = 0.08
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)
| Atom | x | y | z |
|---|---|---|---|
| O | 0.3333 | 0.6667 | 0.0625 |
| O | 0.6667 | 0.3333 | 0.5625 |
| O | 0.6667 | 0.3333 | 0.9375 |
| O | 0.3333 | 0.6667 | 0.4375 |
Z, coordination numbers, distances, density and packing on this page are computed from these coordinates.
Other oxides & frameworks
Perovskite (ideal cubic)SrTiO₃ · ABO₃Rhenium trioxideReO₃ · AB₃SpinelMgAl₂O₄ · AB₂O₄CorundumAl₂O₃ · A₂B₃CupriteCu₂O · A₂BPyriteFeS₂ · AB₂ with S₂²⁻ pairsCalciteCaCO₃ · CarbonateMolybdeniteMoS₂ · Layered AB₂, 6:3ScheeliteCaWO₄ · ABO₄ tetrahedral oxo-anionMagnetite (inverse spinel)Fe₃O₄ · Inverse spinel AB₂O₄Barium titanate (tetragonal)BaTiO₃ · Ferroelectric perovskiteYBCO superconductorYBa₂Cu₃O₇ · Oxygen-deficient triple perovskiteYttrium titanate (pyrochlore)Y₂Ti₂O₇ · Pyrochlore A₂B₂O₇Potassium nickel fluorideK₂NiF₄ · Layered perovskite (Ruddlesden–Popper n = 1)Strontium ferrate (Ruddlesden–Popper n = 2)Sr₃Fe₂O₇ · Layered perovskite (Ruddlesden–Popper n = 2)Thallium cuprate Tl-2223 (superconductor)Tl₂Ba₂Ca₂Cu₃O₁₀ · Layered cuprate (triple CuO₂ layers)
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