Miller Indices: Crystal Plane Notation & Interplanar Spacing Calculator

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d = 2.83 Å — (110) plane

The (110) plane in a cubic crystal with a = 4 Å has an interplanar spacing of 2.83 Å and a Bragg angle of 15.8° for Cu Kα radiation.

Formula

d_hkl = a / √(h² + k² + l²) (cubic)
nλ = 2d·sin(θ) (Bragg's law)
1/d² = (h²/a² + k²/b² + l²/c²) (orthorhombic)

Naming Planes in Crystals

Miller indices provide a universal language for describing planes within crystal lattices. Developed by William Hallowes Miller in 1839, this notation maps every conceivable plane orientation to a simple triplet of integers (hkl). The beauty of Miller indices lies in their ability to capture complex three-dimensional geometry in compact notation that directly connects to observable diffraction patterns.

From Intercepts to Indices

The procedure for finding Miller indices is elegant: identify the axis intercepts of the plane in units of lattice parameters, take their reciprocals, and reduce to the smallest integer set. A plane parallel to an axis has an infinite intercept, which becomes zero after taking the reciprocal. This inversion is key — it ensures that parallel planes share the same Miller indices and that the notation connects directly to reciprocal space.

Interplanar Spacing and Diffraction

The distance between adjacent parallel planes — the d-spacing — determines when X-ray diffraction occurs. Bragg's law (nλ = 2d sin θ) links the d-spacing to the diffraction angle. For cubic crystals, d = a/√(h² + k² + l²), so higher-index planes have smaller spacing and diffract at larger angles. This relationship is the foundation of X-ray crystallography.

Engineering Applications

Miller indices are not merely academic notation — they guide semiconductor manufacturing, where silicon wafers are cut along specific planes (100), (110), or (111) to control electronic properties and etch rates. In metallurgy, slip systems are described by Miller indices of the slip plane and direction. Crystal growth engineers select orientations to optimize material performance.

FAQ

What are Miller indices?

Miller indices (hkl) are a notation system for identifying planes in a crystal lattice. To determine them: find where the plane intercepts the a, b, c axes, take reciprocals of these intercepts, and clear fractions to get the smallest integers. For example, a plane intercepting at (1, ∞, ∞) has Miller indices (100). Negative intercepts use a bar notation.

How is interplanar spacing calculated?

For cubic crystals, the interplanar spacing is d = a / √(h² + k² + l²), where a is the lattice parameter. For non-cubic systems, the formula includes ratios of lattice parameters and angles. The d-spacing determines the Bragg diffraction angle via nλ = 2d·sin(θ).

Why are some diffraction peaks absent?

Systematic absences (extinction rules) arise from the lattice centering. In BCC, reflections where h+k+l is odd are forbidden. In FCC, reflections where h,k,l are not all odd or all even are absent. These rules help identify the crystal structure from diffraction data.

What is the zone axis?

A zone axis [uvw] is a direction common to two or more crystal planes. A plane (hkl) belongs to zone [uvw] if hu + kv + lw = 0. Zone axes are important in electron diffraction, where the beam direction is aligned along a zone axis to observe systematic patterns of spots.

Sources

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