Crystallography & Symmetry
patterns derived from their groups
Concept

Twin fraction — where it appears

The share of a twinned crystal in one of its two orientations. It is recoverable from the second moment of the intensity distribution with no model of the structure, and the estimate has two roots and refuses near a half.

Named by 2 essays across 2 fields — each of them below, with the objects they name alongside it.

p3, single and twinned. Left, the diffraction pattern of a single crystal of p3. Right, the same crystal twinned, with 50 per cent of it in one orientation. Not one spot has moved — the twin law is a symmetry of the lattice, so the two reciprocal lattices lie exactly on top of one another — and 72 of the 81 reflections drawn have changed intensity. At a fifty-fifty twin the pattern acquires the full symmetry of the lattice's point group and is indistinguishable from a crystal that genuinely has it.

A merohedral twin moves no spot at all

The twin law is a symmetry of the lattice, so the two individuals have reciprocal lattices lying exactly on top of one another. Nothing splits, nothing appears in a new place, and the only thing that changes is that pairs of intensities which were different have been averaged — which produces a diffraction pattern with a symmetry the crystal does not have and no sign that anything is wrong.

applied · Twinning The twin fraction, recovered from a moment and nothing else (12 atoms). A structure of 12 atoms twinned at each of 6 fractions, with the second moment of its intensity distribution measured and the fraction solved back out of it. The recovery is within a few hundredths as far as thirty per cent — 4 rows here — and 4 of the 6 fractions get a number at all. Beyond thirty per cent the relation flattens: the derivative of 2α(1−α) vanishes at a half, the two roots meet, and a small error in the moment becomes a large one in the fraction. Where the sampled moment falls below 1.5 the quadratic has no real root and the estimate refuses rather than clamping, which is why a nearly perfect twin is the hard case in practice rather than the easy one.

A twin hides in the statistics

A twinned crystal scatters as two orientations at once and the detector cannot separate them. What arrives is a sum of two intensities — and adding two independent quantities narrows a distribution, which is a signature no model of the structure is needed to read.

diffraction · Statistics

Named alongside it

The objects these essays reach for when they reach for this one.

Acentric distributionFriedel lawIntensity statisticsLaue classMerohedral twinNormalised intensityPseudo-symmetrySecond momentStructure factorSystematic absenceTwin lawTwinning

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