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Crystal Structure Explorer

The three cubic Bravais lattices, simple (SC), body-centred (BCC) and face-centred (FCC), with their conventional cells, a chosen Miller plane (hkl)(hkl) at spacing d=a/h2+k2+l2d=a/\sqrt{h^2+k^2+l^2}, and the powder X-ray pattern. The atom basis sets the geometric structure factor, so some reflections vanish: BCC needs h+k+lh+k+l even, FCC needs h,k,lh,k,l all even or all odd, which is why their powder lines follow the sequences 2,4,6,8 and 3,4,8,11. The reciprocal lattice (defined by biaj=2πδij\vec b_i\cdot\vec a_j=2\pi\delta_{ij}) is FCC for a BCC crystal and BCC for an FCC one, so the first Brillouin zones are the rhombic dodecahedron (12 faces) and the truncated octahedron (14 faces).

Figure 1. Cubic crystal cell with a Miller plane, the reciprocal lattice / Brillouin-zone face count, and the powder XRD pattern. Method: closed-form lattice and reciprocal vectors; structure-factor selection rules; Bragg powder lines.
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Miller (hkl)
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WHAT TO TRY

  • Vary each control and watch the rail readouts respond.
  • Compare the diagnostic plot against the live scene.