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Crystal Lab › AB structures

Rock salt (halite) NaCl

AB, 6:6 · space group Fm-3m (No. 225) · Z = 4

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Unit cell

Lattice constants
a = 5.640 Å, b = 5.640 Å, c = 5.640 Å; α = 90°, β = 90°, γ = 90°
Cell volume
179.4 ų
Atoms in the cell
8 (Na 4, Cl 4)
Formula units Z
4
Calculated density
2.16 g cm⁻³
Shortest contact
2.820 Å

Coordination

Na
CN 6 at 2.82 Å (6 Cl)
Cl
CN 6 at 2.82 Å (6 Na)

About the structure

  • ccp array of Cl⁻ with Na⁺ in every octahedral hole.
  • Coordination 6:6; radius ratio 0.54, in the octahedral range 0.414–0.732.
  • Two interpenetrating fcc lattices offset by half a cell edge.
  • LiF, MgO, CaO, AgCl, PbS and most alkali halides share this structure.

Atom positions (fractional, one cell)

Atomxyz
Na0.50000.50000.5000
Na0.50000.00000.0000
Na0.00000.50000.0000
Na0.00000.00000.5000
Cl0.00000.00000.0000
Cl0.00000.50000.5000
Cl0.50000.00000.5000
Cl0.50000.50000.0000

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

Other ab structures

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