Crystal Lab › Frameworks & porous solids
Sodalite Na₈(Al₆Si₆O₂₄)Cl₂
Zeolite-type framework · space group P-43n (No. 218) · Z = 1
Unit cell
- Lattice constants
- a = 8.870 Å, b = 8.870 Å, c = 8.870 Å; α = 90°, β = 90°, γ = 90°
- Cell volume
- 697.9 ų
- Atoms in the cell
- 46 (Cl 2, Na 8, Si 6, Al 6, O 24)
- Formula units Z
- 1
- Calculated density
- 1.91 g cm⁻³
- Shortest contact
- 1.582 Å
Coordination
- Cl
- CN 4 at 2.69 Å (4 Na)
- Na
- CN 4 at 2.39 Å (3 O + 1 Cl)
- Si
- CN 4 at 1.58 Å (4 O)
- Al
- CN 4 at 1.76 Å (4 O)
- O
- CN 2 at 1.58 Å (1 Si + 1 Al)
About the structure
- The sodalite cage (β-cage): a truncated octahedron of 24 corner-sharing (Si,Al)O₄ tetrahedra. Cages share faces to fill space.
- Na⁺ and Cl⁻ sit inside the cages; swap Cl⁻ for S₃⁻ radicals and the same framework is ultramarine (lapis lazuli).
- The same cage is a building block of zeolite A and faujasite, so sodalite is the simplest way into zeolite structures.
- Coordinates from the Crystallography Open Database, entry 1011185 (open data); hydrogen and water sites with partial occupancy below 0.5 are left out.
Atom positions (fractional, one cell)
| Atom | x | y | z |
|---|---|---|---|
| Cl | 0.0000 | 0.0000 | 0.0000 |
| Cl | 0.5000 | 0.5000 | 0.5000 |
| Na | 0.1750 | 0.1750 | 0.1750 |
| Na | 0.8250 | 0.1750 | 0.8250 |
| Na | 0.1750 | 0.8250 | 0.8250 |
| Na | 0.8250 | 0.8250 | 0.1750 |
| Na | 0.6750 | 0.6750 | 0.6750 |
| Na | 0.3250 | 0.3250 | 0.6750 |
| Na | 0.6750 | 0.3250 | 0.3250 |
| Na | 0.3250 | 0.6750 | 0.3250 |
| Si | 0.2500 | 0.0000 | 0.5000 |
| Si | 0.0000 | 0.5000 | 0.2500 |
| Si | 0.5000 | 0.2500 | 0.0000 |
| Si | 0.7500 | 0.0000 | 0.5000 |
| Si | 0.0000 | 0.5000 | 0.7500 |
| Si | 0.5000 | 0.7500 | 0.0000 |
| Al | 0.2500 | 0.5000 | 0.0000 |
| Al | 0.5000 | 0.0000 | 0.2500 |
| Al | 0.0000 | 0.2500 | 0.5000 |
| Al | 0.7500 | 0.5000 | 0.0000 |
| Al | 0.5000 | 0.0000 | 0.7500 |
| Al | 0.0000 | 0.7500 | 0.5000 |
| O | 0.1350 | 0.4400 | 0.1500 |
| O | 0.4400 | 0.1500 | 0.1350 |
| O | 0.1500 | 0.1350 | 0.4400 |
| O | 0.8650 | 0.4400 | 0.8500 |
| O | 0.5600 | 0.1500 | 0.8650 |
| O | 0.8500 | 0.1350 | 0.5600 |
| O | 0.1350 | 0.5600 | 0.8500 |
| O | 0.4400 | 0.8500 | 0.8650 |
| O | 0.1500 | 0.8650 | 0.5600 |
| O | 0.8650 | 0.5600 | 0.1500 |
| O | 0.5600 | 0.8500 | 0.1350 |
| O | 0.8500 | 0.8650 | 0.4400 |
| O | 0.6350 | 0.6500 | 0.9400 |
| O | 0.9400 | 0.6350 | 0.6500 |
| O | 0.6500 | 0.9400 | 0.6350 |
| O | 0.3650 | 0.3500 | 0.9400 |
| O | 0.0600 | 0.3650 | 0.6500 |
| O | 0.3500 | 0.0600 | 0.6350 |
| O | 0.6350 | 0.3500 | 0.0600 |
| O | 0.9400 | 0.3650 | 0.3500 |
| O | 0.6500 | 0.0600 | 0.3650 |
| O | 0.3650 | 0.6500 | 0.0600 |
| O | 0.0600 | 0.6350 | 0.3500 |
| O | 0.3500 | 0.9400 | 0.3650 |
Z, coordination numbers, distances, density and packing on this page are computed from these coordinates.