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Sodalite Na₈(Al₆Si₆O₂₄)Cl₂

Zeolite-type framework · space group P-43n (No. 218) · Z = 1

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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)

Atomxyz
Cl0.00000.00000.0000
Cl0.50000.50000.5000
Na0.17500.17500.1750
Na0.82500.17500.8250
Na0.17500.82500.8250
Na0.82500.82500.1750
Na0.67500.67500.6750
Na0.32500.32500.6750
Na0.67500.32500.3250
Na0.32500.67500.3250
Si0.25000.00000.5000
Si0.00000.50000.2500
Si0.50000.25000.0000
Si0.75000.00000.5000
Si0.00000.50000.7500
Si0.50000.75000.0000
Al0.25000.50000.0000
Al0.50000.00000.2500
Al0.00000.25000.5000
Al0.75000.50000.0000
Al0.50000.00000.7500
Al0.00000.75000.5000
O0.13500.44000.1500
O0.44000.15000.1350
O0.15000.13500.4400
O0.86500.44000.8500
O0.56000.15000.8650
O0.85000.13500.5600
O0.13500.56000.8500
O0.44000.85000.8650
O0.15000.86500.5600
O0.86500.56000.1500
O0.56000.85000.1350
O0.85000.86500.4400
O0.63500.65000.9400
O0.94000.63500.6500
O0.65000.94000.6350
O0.36500.35000.9400
O0.06000.36500.6500
O0.35000.06000.6350
O0.63500.35000.0600
O0.94000.36500.3500
O0.65000.06000.3650
O0.36500.65000.0600
O0.06000.63500.3500
O0.35000.94000.3650

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

Other frameworks & porous solids

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