Crystallography & Symmetry
patterns derived from their groups
Concept

Local symmetry — where it appears

Symmetry exact for part of a structure and absent from the crystal as a whole, such as a fivefold axis inside one cluster. The restriction forbids such an axis to the lattice and says nothing about what sits inside a cell.

Named by 6 essays across 3 fields — each of them below, with the objects they name alongside it.

A 5-fold cluster in a crystal that has no 5-fold axis. A cluster of 10 points with an exact 5-fold axis at the centre of each cell, repeated by the lattice. Two measurements, on the same points. The cluster is carried onto itself by a turn of 72° to within 2e-16 of a cell — exact, as far as the arithmetic goes. The pattern is not: applying the same turn about a lattice point sends some atoms 1.19 of a cell from the nearest atom, which is most of the way across it. Both are true at once. The axis is a symmetry of the contents of one cell and not of the crystal, which is what non-crystallographic symmetry means and why a virus with a sixty-fold capsid can crystallise in an ordinary space group.

A fivefold axis in an ordinary crystal

A virus with sixty-fold symmetry crystallises in a space group that has none of it. The restriction forbids a fivefold axis to the lattice and says nothing about what sits inside one cell — so the axis is exact, the crystal genuinely lacks it, and both statements are measurable on the same set of atoms.

restriction · Local symmetry Every group decided by a window of radius 1. For each of the seventeen, the radius at which a round window on the pattern admits exactly the group's own operations and no others — with the numbers it admits at each smaller radius beside it. Two opposite failures are visible. Most groups under-report at small radii, because an operation carrying points out of the window cannot be tested at all; cm over-reports, admitting operations the pattern does not have. The groups that take longest to settle are the ones distinguished by a glide, which moves a point half a cell before anything can be compared.

How much pattern is enough

Every claim here about a pattern's group is a claim about an infinite pattern. A reader sees a patch. Measuring what a finite window can decide gives a number — about one cell's radius — and two opposite ways of being wrong on the way there.

classification · Seventeen 5 units of 70.53°: 7.36° left. 5 tetrahedral units of face-centred cubic metal, each the mirror image of its neighbour in a {111} plane, arranged about a common ⟨110⟩ edge. The angle between two such planes is arccos(1/3) = 70.53°, computed from the plane normals rather than quoted, and 5 of them come to 352.64°. The shaded sector is what is left over: 7.36°, or 2.04 per cent of a full turn, which must be taken up by strain, by a gap, or by a defect along the axis.

Five copies, and the gap they leave

Gold, silver and silicon grow particles with a five-fold axis down the middle, out of a lattice that forbids one. Nothing is violated: five tetrahedral pieces of ordinary face-centred metal, each the mirror image of its neighbour, come to three hundred and fifty-two and a half degrees rather than three hundred and sixty — and the seven degrees left over have to go somewhere.

restriction · Local symmetry orders 5 and 7 reach a site of symmetry 1 and no more. A molecule whose only symmetry is one n-fold axis, and the highest site symmetry it may occupy in any of the 45 space groups this site builds. The site's symmetry has to be a subgroup of the molecule's, so the site's order must divide n and the site group must be cyclic. Orders 1, 2, 3, 4 and 6 reach a site of their own order. Orders 5 and 7 reach one, because no site symmetry in any space group contains an operation of order five or seven — the orders available are 1, 2, 3, 4, 6, computed by asking every operation of every group whether it moves a point. A five-fold molecule keeps its axis; the crystal simply has no use for it.

What a molecule gives up to sit in a crystal

A molecule brings its own symmetry. A crystal offers sites with symmetries of their own, and the two have to be compatible — the site's symmetry must be a subgroup of the molecule's. So a molecule may always keep more than its site offers, and a molecule with a five-fold axis may sit only where the crystal offers nothing at all.

restriction · Local symmetry A circuit that closes on the wrong point: (1, 0). A square lattice with one extra half-column, drawn as a graph: the rows above the core have one more site than the rows below, and the core is the site at the end of the extra column. The path is 4 steps east, 4 north, 4 west and 4 south — the same number out as back — and it ends one lattice vector from where it started. Every one of the 12 circuits in the survey that goes round the core fails by that vector, and all 10 that miss it close exactly.

The circuit that does not close

A defect in a crystal is usually introduced as a picture — an extra half-row of atoms, a wedge taken out. What makes a defect a crystallographic object rather than a drawing is a closure failure: walk a closed circuit through the lattice and come back to the wrong point, by an amount the lattice itself decides.

applied · Defects The kinds of line defect each breaking allows. The eleven proper crystal classes, each with the order of the binary group that covers it, the number of conjugacy classes of that group other than the identity — which is the number of kinds of line defect — and whether the group commutes. 6 of the eleven do not, and in those media two defect lines cannot pass through each other without leaving a third line behind.

The defect that needs two laps

Which defects a medium can have is not a fact about the medium. It is a fact about the space its order parameter lives in, and for a rotational symmetry broken down to a point group that space has a fundamental group twice the size of the point group. The kinds of line defect are its conjugacy classes — and in six of the eleven cases they do not commute, which means two defect lines cannot pass through each other.

applied · Defects

Named alongside it

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

DisclinationClosureCrystallographic restrictionDefectAccidental symmetryAsymmetric unitBurgers vectorConjugacy classDecidabilityDetectionDouble groupThe Euler characteristic

All concepts