Crystallography & Symmetry
patterns derived from their groups
Series

Packing — the series

8 essays on one idea, from the one that introduces it to the one that assumes the rest.
  1. One layer, and the two ways to sit on it. A close-packed layer — large pale discs, each touching six others, which is as tight as one layer of equal spheres can be. Its hollows come in two sets, marked in the two smaller colours, and a second layer must take one set or the other; the two choices are mirror images and equally good. The third layer then faces the same choice again, and this time the two answers are genuinely different: over the first layer, or over the hollows the second did not use. That single decision, repeated, is the whole of close packing — and nothing in the geometry prefers either answer, because both give the same density and the same number of touching neighbours.

    Two stackings, one density

    Stack spheres as tightly as they will go and the third layer has a free choice. Both answers fill exactly the same fraction of space and give every sphere the same twelve neighbours — and their space groups are Fm3̅m and P6₃/mmc, which is the only thing that tells them apart.

    part 1 · applied
  2. How many close packings there are of each period. Every cyclic sequence over three letters with no two adjacent alike is a close packing, and two sequences describe the same structure when one becomes the other by rotating the cycle, reversing it, or relabelling the three positions. Counting the classes that remain gives 1 of period 2, 1 of period 3, 1 of period 4, 1 of period 5, and 38 altogether up to period 10. Period two is hexagonal close packing and period three is cubic; everything above them is a polytype, equally dense and equally close packed, and silicon carbide has been found in more than two hundred of them. Nothing in the geometry chooses. What chooses is an energy difference of a few thousandths of an electron volt per atom, and this site computes no energies.

    How many polytypes there are

    One free choice per layer, repeated, gives a family of structures with the same composition, the same density and the same twelve neighbours — differing only in a sequence. Counting them up to rotation, reversal and relabelling turns "silicon carbide has hundreds of forms" into an enumeration.

    part 2 · applied
  3. The whole space of plane lattices, and its corner. Every plane lattice appears exactly once in this picture. Scaling changes no density, so the leading coefficient is fixed at one; reduction then confines the other two to 0 ≤ b ≤ 1 ≤ c, and every lattice has exactly one reduced form. The curves are the levels of constant density, which are parabolas — a density d needs 4c − b² to equal (π/2d)². They crowd toward the corner b = c = 1, which is the hexagonal lattice at π/√12 ≈ 0.9069; the square lattice sits on the left edge at π/4 ≈ 0.7854. The picture is a search over a region rather than over a list, which is what makes the answer a decision: there is nowhere else for a lattice to be.

    The densest lattice in the plane

    Which arrangement of equal discs covers the most floor is a question about infinitely many lattices, and reduction turns it into a question about a two-parameter region with a corner. The answer is at the corner, and the argument finishes.

    part 3 · applied
  4. Four ways to lay a second row on the first. The same shape four times, with the upper row related to the lower one by a translation, a half turn, a glide and a mirror. In each case the upper row is pushed down until it touches, and the number is the density that results. The three that keep the shape the same way round come out within two per cent of one another; the mirror packs at 78 per cent of the best of them — 22 per cent less dense — because it presents a protrusion to a protrusion. Stated the other way round, the best of the four is 28 per cent denser than the mirror; the two percentages are the same measurement against two different bases, and neither is the other.

    The four plane groups a molecule packs in

    A molecule is not a disc: it has bumps and hollows, and packing it tightly means getting one molecule's bump into another's hollow. A mirror puts a bump against a bump. Filter the seventeen by that one observation and four survive — and the space groups the structural literature is mostly made of are the three-dimensional version of the same four.

    part 4 · applied
  5. How densely each shape packs, by translation alone. The densest lattice packing of each shape, as its area over the critical determinant of its difference body. The two that tile the plane by translation reach one and must, which is a check on the search rather than a result of it. The triangle reaches exactly two thirds because its difference body is a hexagon. The many-sided approximation to a circle reaches π/√12, which this collection computes a completely different way. And the pentagon is the worst of them, which is where the search is doing work nobody could do by inspection.

    The densest packing of a shape that is not a disc

    Which lattice packs equal discs most densely has a proof that finishes. Replace the disc with a pentagon and the same question has no closed form, but it does have a reduction: translates overlap exactly when the difference of their positions lies inside the shape minus itself, so the question becomes the smallest determinant a lattice can have while avoiding one convex body — and that is a search with a resolution attached.

    part 5 · applied
  6. One local configuration, and a number of structures that doubles. How many kinds of adjacent pair a close-packed stack has, how many kinds of triple, and how many stackings of each period there are. The first column never moves: every pair of layers is congruent to every other, at every period, which is what an order-disorder family is. The last two agree with 2ⁿ + 2(−1)ⁿ, which is the chromatic polynomial of a ring of n layers at three colours, because a stacking of period n is exactly a proper three-colouring of that ring. The gap between the first column and the last is the whole subject.

    A stack with no space group

    Every pair of layers in a close-packed stack is congruent to every other pair, and the number of stacks doubles with every layer added. A family whose local configuration is completely determined and whose global structure is not determined at all has no single symmetry group — what it has is a set of operations that compose only when their ends match, which is a groupoid.

    part 6 · applied
  7. Perfection is a rank, and most lattices do not reach it. For each lattice, the rank of the matrices vvᵀ built from its shortest vectors, against the dimension of the space of symmetric matrices those live in. Reaching it means the shortest vectors pin the form down completely: no deformation keeps every one of them at its length. Falling short means there is a direction left to move in, and the lattice is not a local maximum of density.

    One perfect form in space

    Which lattice packs spheres most densely is a question about a maximum over a continuum, and Voronoi turned it into a rank calculation and a sign check. A lattice is a local maximum exactly when its shortest vectors pin its shape down completely and its inverse can be written over them with positive coefficients. Searching every reduced integer form of minimum two finds one such lattice in the plane and one in space.

    part 7 · lattices
  8. How far apart points on a sphere can be kept. For each number of points, the largest smallest angle a search could find between any two of them. Two unit spheres touching a third do not overlap exactly when their contact points are 60° or more apart, so the largest count whose best arrangement still clears 60° is the kissing number. Twelve clears it with three degrees to spare and thirteen falls short by more than three. The circle column is the same problem in the plane, where the answer is exactly 360/n and needs no search at all.

    The room a thirteenth sphere would need

    Twelve equal spheres touch one, and whether a thirteenth could was argued in 1694 and settled in 1953. The reason it took so long is measurable: the twelve leave three and a half degrees of slack, which is enough room to look promising and not enough to use — and in the plane, where the same question has no slack at all, nobody ever argued.

    part 8 · applied

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