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Crystal Lab › AB₂ and A₂B

Cadmium iodide CdI₂

Layered AB₂, 6:3 · space group P-3m1 (No. 164) · Z = 1

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Unit cell

Lattice constants
a = 4.240 Å, b = 4.240 Å, c = 6.840 Å; α = 90°, β = 90°, γ = 120°
Cell volume
106.5 ų
Atoms in the cell
3 (Cd 1, I 2)
Formula units Z
1
Calculated density
5.71 g cm⁻³
Shortest contact
2.986 Å

Coordination

Cd
CN 6 at 2.99 Å (6 I)
I
CN 3 at 2.99 Å (3 Cd)

About the structure

  • hcp array of I⁻ with Cd²⁺ in every other layer of octahedral holes.
  • Layers I–Cd–I are neutral sandwiches held together only by dispersion forces.
  • Mg(OH)₂ (brucite), Ca(OH)₂, PbI₂, TiS₂, VS₂ share this structure.

Atom positions (fractional, one cell)

Atomxyz
Cd0.00000.00000.0000
I0.33330.66670.2500
I0.66670.33330.7500

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

Other ab₂ and a₂b

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