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Crystal Lab › AB structures

Caesium chloride CsCl

AB, 8:8 · space group Pm-3m (No. 221) · Z = 1

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Unit cell

Lattice constants
a = 4.123 Å, b = 4.123 Å, c = 4.123 Å; α = 90°, β = 90°, γ = 90°
Cell volume
70.1 ų
Atoms in the cell
2 (Cs 1, Cl 1)
Formula units Z
1
Calculated density
3.99 g cm⁻³
Shortest contact
3.571 Å

Coordination

Cs
CN 8 at 3.57 Å (8 Cl)
Cl
CN 8 at 3.57 Å (8 Cs)

About the structure

  • Simple cubic array of Cl⁻ with Cs⁺ in the cubic hole (or the reverse — the two are equivalent).
  • Coordination 8:8; radius ratio r⁺/r⁻ ≈ 0.93, above the 0.732 limit for a cube.
  • Not body-centred cubic: the corner and centre atoms are different.
  • CsBr, CsI, TlCl, NH₄Cl share this structure.

Atom positions (fractional, one cell)

Atomxyz
Cs0.00000.00000.0000
Cl0.50000.50000.5000

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

Other ab structures

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