Crystallography & Symmetry
patterns derived from their groups
Concept

Torus — where it appears

The surface obtained by gluing the opposite edges of a parallelogram, which is what a finite periodic block of a crystal is. Its translation group is finite and its characters are the only wavevectors such a block can carry.

Named by 8 essays across 4 fields — each of them below, with the objects they name alongside it.

11 nets, and one accounting. Every plane net folds onto a torus when its own translations are divided out, and a torus has Euler characteristic zero — so the quotient's vertices, edges and faces satisfy n − e + f = 0 and the number of faces is not something to be counted off a drawing but e − n. Dividing through gives one over the mean face size plus one over the mean degree equal to a half, which is the same relation that forbids a plane tiling by pentagons, reached here with no geometry in it at all. It holds for every net in the table.

Every net folds onto a torus

Divide a plane net by its own translations and the quotient is a finite graph drawn on a doughnut. A doughnut has Euler characteristic zero, so the number of faces is not something to count — it is forced, and with it a relation between how many edges meet at a vertex and how many bound a face.

classification · Flat space A wavevector of thirds, and the boxes that cannot see it. Which sizes of box can carry the wavevector at the corner of a hexagonal zone. The characters of the box's translation group are its wavevectors, and there are exactly N² of them — the fractions with denominator dividing N. A wavevector of thirds is therefore present in a box of three, six, nine or twelve cells and absent from one of two, four or five: not approximated badly, not resolved coarsely, absent. A mechanism or a level living there is invisible to such a calculation, and that is the practical content of a mechanism count depending on the cell it was looked for in.

Crystallography in a box

A calculation over a crystal is not performed on a crystal. It is performed on a finite block with its edges glued, and the block has a symmetry group of its own — finite, complete in one direction and missing something decisive in the other.

classification · Flat space Two plane structures with one Patterson. Two arrangements of 4 atoms on a 4 by 4 torus. No translation and no half-turn carries one onto the other, so they are different structures; every interatomic vector occurs the same number of times in both, so no measurement of intensities distinguishes them. The plane case is not the chain case with an extra index: a mirror in the plane sends a vector set to its mirror image rather than to itself, which is the one place the analogy with a cycle breaks.

Two structures on a torus, and one Patterson

Homometry was settled here on a ring of positions, which is a crystal in one dimension. Moving the same exhaustive search to a torus asks whether the coincidence is commoner or rarer when the vectors have a plane to land in — and the honest answer is that dimension is not what decides it.

diffraction · Homometry The sphere fixes a count; the torus fixes only a difference. Euler's relation for a trivalent net gives Σ (6 − n) pₙ = 6χ, so the surface fixes one linear combination of the face counts and nothing else. On a sphere that combination is twelve, which with no face smaller than a pentagon forces exactly twelve pentagons. On a torus it is zero, which permits any number of pentagons provided as many heptagons pay for them — and permits none at all, which is the plain hexagonal net. On a surface of two holes it is minus twelve, so heptagons become compulsory instead.

As many heptagons as pentagons

A trivalent net on a sphere must have exactly twelve pentagons. The same three lines of arithmetic on a torus give zero — which does not forbid pentagons, it makes them pay: every pentagon has to be balanced by a heptagon, and the counts are otherwise free. One rotated bond in a wrapped honeycomb makes two of each and changes nothing else.

restriction · Curvature Every closed surface, and the two that charge nothing. The same accounting indexed by Euler characteristic rather than by genus. An orientable surface has χ = 2 − 2g, so it only ever occupies an even row; a non-orientable one has χ = 2 − k and occupies every row from one downwards. The odd rows therefore belong to surfaces that cannot be oriented and to nothing else — and the first of them, the projective plane, charges six. Six pentagons is a bill no orientable surface presents.

The surfaces a count by genus skips

A count indexed by genus steps in twelves and lands only on even numbers. A closed surface can have any characteristic at or below two, and the odd ones belong to the surfaces that cannot be oriented — where the projective plane charges six pentagons, a bill no orientable surface ever presents.

restriction · Curvature Every arrangement on two tori, by how it winds. The ice arrangements on tori eight and nine vertices across, each placed at the pair of numbers it winds by — how much the height on the faces gains going once round the torus across and once round it down — with a disc whose area grows with the number of arrangements there. On the even torus every winding is even and the arrangements crowd the centre; on the odd torus every winding is odd and there is no centre to crowd, so they sit at plus and minus one. Solid discs are the sectors whose windings are both multiples of three, which are exactly the arrangements that are also three-colourings. On the even torus that is exactly a third of everything; on the odd torus it is the four sectors at plus and minus three, and they hold about one arrangement in eighty.

A winding does not dilute

Three-colourings of an odd torus are a small and shrinking fraction of the ice arrangements on it, and the natural guess is that the fraction goes to nothing. It does not. It settles near one in twenty-eight, because the windings that decide it are a property of the whole surface rather than of its edge — and on even tori the same windings put exactly a third of the arrangements in one class, which in the limit is Jacobi's theta identity.

aperiodic · Entropy The exact third on every even rectangle. Square ice on twelve tori with both sides even, eight of them rectangles that are not squares, up to 6 × 12 and 8 × 8: the number of ice arrangements, the number whose two windings are both divisible by three, and their ratio. It is one third exactly, as a ratio of integers, on every one.

The third survives a rectangle

On every even square torus, exactly a third of the square-ice arrangements have both windings divisible by three, and the explanation offered was a theta function that is its own dual. A test was proposed: on a torus twice as long as it is wide the two windings have different stiffnesses, the explanation gives a different number, and the exact third should fail. It does not fail on any of eight rectangles. But the explanation, worked through properly for a rectangle, never predicted that it would. The two directions of a rectangle are each other's duals, and their factors cancel to a third at every shape.

aperiodic · Entropy One arm of a star is cheap, and the whole star costs the cube. For nine wavevectors of the primitive cubic zone, the number of cells in the smallest periodic box that holds one arm of the wavevector's star, and in the smallest that holds every arm, on a logarithmic axis found by enumerating every box of each size. The zone corner R is held whole by two cells. The face centre X needs two cells for one arm and eight for its three; the thirds along an axis or a body diagonal need three for one arm and twenty-seven for the star; the quarters need four and up to sixty-four. Every smallest box for a whole star has the full symmetry of the cube.

A whole star needs a cubic box

A periodic box for a cubic crystal holds only the wavevectors its own lattice allows, and a box chosen to hold one wavevector usually holds one arm of its star and not the others. One arm of the face centre X fits in two cells; all three need eight. One arm of a third along an axis fits in three; the whole star needs twenty-seven. The smallest box that holds a whole star always keeps the cube's full symmetry, so a calculation either pays for the cube or reports a symmetry its box imposed.

classification · Flat space

Named alongside it

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

Crystal netEnumerationCombinatorial curvatureCommensurateDualityEntropyThe Euler characteristicFree actionHeight functionOrientabilityQuotient graphResidual entropy

All concepts