Crystallography & Symmetry
patterns derived from their groups
Concept

Icosahedral symmetry — where it appears

The symmetry of an icosahedron: sixty rotations, six fivefold axes, and no lattice in three dimensions that can hold any of them. It is the point group a crystal is forbidden and the one the first quasicrystal turned out to have.

Named by 8 essays across 2 fields — each of them below, with the objects they name alongside it.

Every solution of the axis equation. The integer solutions of 2 − 2/N = Σ(1 − 1/nᵢ), which is what counting the pairs (rotation, fixed pole) two ways gives. Two classes of axis force n₁ = n₂ = N and give the cyclic groups; three classes give the dihedral family and exactly three sporadic answers — (2, 3, 3), (2, 3, 4) and (2, 3, 5), of orders 12, 24 and 60, which are the rotation groups of the tetrahedron, the octahedron and the icosahedron. Four classes are impossible, because four terms of at least a half already exceed the left-hand side. Nothing about crystals has been used.

Before the lattice has a say

Every finite group of motions of the plane is a Cₙ or a Dₙ, and every finite group of rotations of space is one of five families. Both lists come out of counting rather than out of crystallography — and then the crystallographic restriction deletes almost all of them, leaving eleven.

restriction · Finite groups A diffraction pattern with tenfold symmetry. Sharp spots, arranged with a symmetry that no periodic crystal can have. When the ten-fold case was measured in 1982 the immediate reaction was that the sample must be a twinned crystal, because the alternative was that a theorem with a one-line proof had a case nobody had considered. The star of reciprocal vectors is a parameter here, so the eight- and twelve-fold patterns that were found afterwards come out of the same call.

What Shechtman measured

A diffraction pattern with sharp spots and tenfold symmetry, in April 1982. Sharpness meant order and tenfold meant no lattice, and the two had been believed inseparable — so the interesting question is what the observation had to rule out before it could mean anything.

aperiodic · Quasicrystals The icosahedral group, counted. The sixty rotations of an icosahedron, found by trying every map that sends one adjacent pair of vertices to another and keeping those that carry the whole vertex set onto itself. They fall into 6 axes of order 5, 10 axes of order 3, 15 axes of order 2 — and the fivefold axes are the reason this group cannot be the point group of any crystal, since no three-dimensional lattice admits a rotation of order five. Quasicrystals have it anyway, which is what made 1982 an argument rather than a measurement.

Icosahedral symmetry

Sixty rotations, six fivefold axes, and no lattice in three dimensions that can hold any of them. It is the point group a crystal is forbidden, and the one the first quasicrystal turned out to have.

aperiodic · Quasicrystals 60 vertices, 12 pentagons. A closed net with three edges at every vertex: 60 vertices, 90 edges and 32 faces, of which 12 are pentagons and 20 are hexagons. The pentagons are picked out in the second colour. Their number is not a property of this cage — it is twelve for every closed trivalent net of pentagons and hexagons, at any size, and the hexagon count is free.

Twelve pentagons, and no way round them

The crystallographic restriction forbids a five-fold face in a flat repeating net. Curve the net into a closed cage and the same three lines of arithmetic require exactly twelve of them — at any size, with the hexagon count free. What a lattice forbids, closing up compels.

restriction · Curvature 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 The fewest contacts twelve pentagons can have, by size. For every cage of pentagons and hexagons up to forty-four atoms, the number of pairs of pentagons sharing a bond. The lower line is the fewest any cage of that size achieves — 30, 24, 21, 18, 17, 15, 14, 12, 11, 10, 9, 8 — the upper line the most, and the dashed line the bound that counting edges gives: the twelve pentagons carry sixty edges between them, a contact uses two and an edge to a hexagon uses one, so the contacts cannot fall below 30 − 3h with h hexagons. The bound is attained while the hexagons are few and goes loose at five, after which each extra hexagon removes about one contact rather than three. The number of cages at each size is printed beneath, and it is the least rather than the average that the bound is about.

How close the twelve must be

The charge fixes twelve pentagons and says nothing about where they go, because it is a sum over faces and cannot see which face touches which. What it cannot see is a graph on twelve points, and the fewest edges that graph can have falls from thirty to eight over the cages a census reaches — then keeps falling at a rate that puts its first zero exactly where the truncated icosahedron is.

restriction · Curvature The fewest pentagon contacts, from twenty atoms to sixty. The least number of pairs of pentagons sharing a bond, over every cage of pentagons and hexagons at each size from 20 to 60 atoms, with two lower bounds: 30 − 3h from counting edges, and 20 − h from counting the pentagons round each hexagon, which is also the prediction of one fewer contact for each hexagon added. The measured values past 44 atoms are 8, 8, 7, 5, 5, 4, 4, 3, 0; the bound is met at 20, 24, 26, 28, 36, 38, 40, 42, 44, 50, 60 atoms and nowhere else.

The last three contacts go at once

The fewest pentagon contacts a cage can have fell by one for every hexagon added over eight sizes up to forty-four atoms, which pointed straight at the truncated icosahedron at sixty. Carried to sixty by a faster search, the fall does not continue evenly. It pauses, jumps, pauses again, and loses its last three contacts in a single step. The steady fall was not a trend. It was a lower bound, twenty minus the number of hexagons, which a short count round each hexagon proves, and the census now shows where cages meet it and where they cannot.

restriction · Curvature Pentagon contacts as pieces of the icosahedron. The icosahedron drawn with one vertex at the centre, two rings of five, and the twelfth vertex as the outer circle; each vertex is a pentagon and each edge a possible contact. Left: the dodecahedron, whose twelve pentagons all touch five others, uses every edge. Centre: the commonest contact graph among the 5,770 cages to sixty atoms, 6 contacts in clusters of 3 + 3 + 2 + 2 + 1 + 1, carried by 179 cages, placed on the icosahedron with every contact on an edge. Right: the one cage with no contacts at all. All but two of the 340 contact graphs can be placed this way.

Three hundred and forty ways for twelve pentagons to touch

Every cage of pentagons and hexagons has twelve pentagons, and which of them share a bond is a graph on twelve points. Over all 5,770 cages from twenty atoms to sixty there are only 340 such graphs, and the graph almost never tells one cage from another: the commonest is shared by 179 cages and one recurs at thirteen different sizes. And every one of them except two, both from small cages, fits inside a single graph, the icosahedron's, which is what the dodecahedron's twelve pentagons make when every one touches five others.

restriction · Curvature

Named alongside it

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

Crystallographic restrictionFullereneTrivalent netCombinatorial curvatureCountingEnumerationCensusThe Euler characteristicGraph isomorphismPolyhedronQuasicrystalClosed surface

All concepts