The collection

Every essay — page 14

One idea per essay, ordered so that the earlier ones set up the later ones — but nothing here depends on being read in sequence.

What symmetry decides

Thirty-two classes, enumerated rather than listed — and then the one thing they are for outside crystallography's own bookkeeping: which components of a physical property a crystal is permitted to have before anybody measures it.

A spin needs two full turns to come back. The number a rotation about a fixed axis multiplies a state by, against the angle turned through. A vector — anything of integer spin — is back where it started after one full turn; a spin-one-half state is multiplied by minus one and needs a second turn. So the operators acting on such a state do not form the rotation group: a full turn is an operation distinct from doing nothing, and the group is twice as large.

Two turns to come back

A rotation through a full turn does nothing to a crystal and multiplies a spin-one-half state by minus one, so the group acting on such a state is not the point group but a group twice its size. Building those eleven double groups from quaternions and averaging a random operator over each gives the degeneracies a spin may have — and shows that the doubling everybody calls Kramers' is time reversal's doing and not the double group's.

Lattices

The repeating scaffold underneath every crystal. Five in the plane, fourteen in space, and no others — a classification with a short proof.

How many similar sublattices the cubic lattice has at each scale. Every integer matrix satisfying MᵀM = α²I, counted up to the lattice's own point group by marking orbits rather than dividing. The even scales are drawn apart because they are the ones that give nothing new: a factor of two in the scale never produces a shape the smaller scale did not already have.

The shapes a lattice in space can thin to

In the plane, which indices admit a sublattice of the same shape is a question about which integers a quadratic form represents, and Fermat answered it. In space the question collapses: taking determinants shows the index is always a perfect cube, so there is nothing to represent. What is left is how many there are at each cube — and for a hexagonal lattice, whether there are any at all depends on one number.

What symmetry decides

Thirty-two classes, enumerated rather than listed — and then the one thing they are for outside crystallography's own bookkeeping: which components of a physical property a crystal is permitted to have before anybody measures it.

Thirty-two classes, from fourteen Gram matrices. The five hundred and ten subgroups sorted by how many operations of each kind they contain — a determinant and a trace decide which of the ten kinds a matrix is. Thirty-two answers come out, and they are the thirty-two crystal classes: matched against the construction elsewhere in this collection by signature rather than by name, since nothing here names a point group.

Thirty-two from fourteen matrices

Write the fourteen Bravais lattices as Gram matrices, ask each one which integer matrices preserve it, and take every subgroup of every answer: five hundred and ten of them. Sort those by how many operations of each kind they contain — which a determinant and a trace decide — and thirty-two answers come out. They are the crystal classes, from a construction in which no point group is ever named.

Lattices

The repeating scaffold underneath every crystal. Five in the plane, fourteen in space, and no others — a classification with a short proof.

Four vectors summing to zero, and six numbers on the edges. A superbasis is the three basis vectors together with their negated sum, so the four sum to nothing and their pairwise products sit on the six edges of a tetrahedron. Selling's rule is: while any edge is positive, apply one transformation. The right panel is the same lattice reduced, with the vanishing parameters marked — and a vanishing parameter is a face the Voronoi cell does not have.

A reduction with one rule

Niggli's reduction is eight numbered conditions with sub-cases, applied in order until none applies. Selling's is a single rule on four vectors that sum to zero: while any of six numbers is positive, do one thing. It terminates sooner, its termination is a quantity that visibly falls, and when it stops the six numbers are the Voronoi cell — the pattern of which ones vanish gives Fedorov's five solids and nothing else.

Twenty-two halvings the fourteen lattices permit. Every lattice has exactly seven subgroups of index two, whatever its shape. The third column is how many of the seven the lattice's own group carries onto themselves, and the fourth is how many of those survive as distinct types once a change of basis within the type is allowed to identify them. The running total ends at twenty-two, which with the fourteen grey lattices is the thirty-six magnetic Bravais lattices — and the row that ends at zero is the face-centred cubic lattice.

The halving a lattice will not permit

Admit time reversal and a lattice splits into points that leave the moments alone and points that reverse them. The second set is a coset of a subgroup of index two, and every lattice has exactly seven of those, whatever its shape. What differs is how many of the seven the lattice's own symmetry survives — and the face-centred cubic lattice survives none of them.

Symmetry at work

Crystal forms, twins, domain walls and grain boundaries. Mineralogy, metallurgy and ferroelectrics each worked these out separately, and every one of them turns out to be an orbit or a coset of a group already built here.

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.

Into space

Seventeen becomes two hundred and thirty. Screw axes, glide planes, and the translations that no choice of origin can remove — the operations a flat surface has no room for.

Which indices a screw axis contains itself at. The fifteen kinds of axis a space group may have, against the index of the sublattice taken along the axis. A filled cell is an index at which the axis contains a copy of its own kind; the darker cells are the indices at which what comes back is the mirror image instead. A pure rotation axis is filled everywhere and a screw is not, and which indices a screw loses is decided by one congruence rather than by any geometry.

A screw that contains its own mirror image

No operation of a crystal turns a right-handed screw axis into a left-handed one — that is what makes the eleven enantiomorphic pairs pairs. And yet a 4₁ axis contains copies of 4₃ as subgroups, at every index congruent to three modulo four. One congruence decides both which indices are possible and which hand comes back, and it is the same congruence for all fifteen kinds of axis.

What symmetry decides

Thirty-two classes, enumerated rather than listed — and then the one thing they are for outside crystallography's own bookkeeping: which components of a physical property a crystal is permitted to have before anybody measures it.

Seventy-three arithmetic classes, from fourteen groups. Every subgroup of every lattice's own group, split by whether the subgroup's own Bravais group is that lattice's. The ones that are not belong to a lower lattice and are counted there, which is what stops the same class being counted twice. The running total ends at seventy-three, and no conjugacy in GL(3, ℤ) was ever decided.

Seventy-three, without a search

The unit a space group is built from is a point group together with the lattice it acts on, and there are seventy-three of them. Getting there looks like it needs conjugacy in GL(3,ℤ), which is a search this collection tried and abandoned. It does not: every finite group of integer matrices carries a canonical larger group that says which lattice it belongs to, and once that is computed the search has nothing left to do.

Lattices

The repeating scaffold underneath every crystal. Five in the plane, fourteen in space, and no others — a classification with a short proof.

Both sides of the transformation, on five lattices. A Gaussian of width set by t on every point of a lattice, summed; and the same sum over the dual lattice with the width inverted and the covolume divided out. The two agree to the last bit a double carries, at every t and on lattices with no symmetry in them, so nothing here is a coincidence of parameters. The identity is exact and the reason to have it is that the two sides do not cost the same.

The sum that turns a lattice into its dual

Put a Gaussian on every point of a lattice and add them up. The answer equals the same sum over the dual lattice with the width inverted and the covolume divided out — exactly, to the last bit a double carries, on lattices with no symmetry in them. The identity is free and the reason to have it is that the two sides do not cost the same: at one end of the range the direct sum needs forty thousand terms and the dual sum needs a hundred and twenty-five.

The same terms, added in two shapes. Partial sums of the alternating 1/r sum over the simple cubic lattice, taken over expanding cubes and over expanding spheres. The terms are identical and only the order differs. The cubes creep towards 1.747565 — 1.7258 by the last point drawn — and the spheres do not settle at all, landing at -3.527 after passing through values on both sides of it. A conditionally convergent sum has no value until the order is named.

The sum whose answer depends on the shape

Give the points of a cubic lattice alternating signs and add up one over the distance. Added over expanding cubes the total creeps towards 1.747565; added over expanding spheres it does not converge at all, landing on both sides of that number and never settling. The terms are identical and only the order differs. Splitting the sum in two with the theta transformation gives it a value — ten decimal places from a few thousand terms.

Symmetry at work

Crystal forms, twins, domain walls and grain boundaries. Mineralogy, metallurgy and ferroelectrics each worked these out separately, and every one of them turns out to be an orbit or a coset of a group already built here.

Three variants, and not one undistorted plane. The three tetragonal variants a cubic parent produces, with the principal stretches of each. Every one of them has the same three numbers in a different order, and the middle one is not one — so none of the three leaves any plane undistorted, and none of them can meet the parent phase across an interface. That is the difficulty the whole of the crystallographic theory of martensite exists to resolve, and it is visible in one column.

The plane a deformation leaves alone

Two differently deformed regions can meet across a plane only if that plane is deformed identically from both sides — which forces the two deformations to differ by a rank-one term. Multiplying each side by its own transpose removes the rotation and leaves a condition on a signature: one positive eigenvalue, one negative, one exactly zero. In that form the classical rule that the middle principal stretch must be one is not quoted but derived, and it says that no single variant of a cubic-to-tetragonal transition can meet its parent at all.

7 figures $Where the laminate's middle eigenvalue crosses zero. The middle eigenvalue of FᵀF − I for the average deformation of a twinned laminate, against the volume fraction of one variant. At both ends the laminate is a single variant and the value is well away from zero; in between it crosses, twice, and each crossing is a volume fraction at which the laminate can meet the parent phase across a plane. The two roots are complementary, which is the same plate with the two variants exchanged.$

The plate that only fits when it is twinned

No single variant of a cubic-to-tetragonal transition can meet its parent across a plane. A fine mixture of two variants can, because its average deformation carries a free parameter — the volume fraction — and that parameter passes through the compatibility condition twice. Sweeping it gives the two fractions, the two habit planes, and one inequality: the plate exists exactly when the two principal stretches satisfy η₁² + η₃² ≤ 2.

The classification

Exactly seventeen ways to fill the plane with a repeating pattern. Not a fact to memorise: a theorem, with a finite argument and no eighteenth case.

Why a tetrahedron is not a cube cut up. The two invariants side by side. A cube's twelve right angles are each a rational part of a turn and contribute nothing; a regular tetrahedron's six edges each contribute one α, giving six. Cutting a polyhedron and rearranging the pieces cannot change the invariant, so no dissection takes one to the other however the volumes are matched. That is Hilbert's third problem, and the whole of it is one angle.

The angle that is not a fraction of a turn

Any two polygons of equal area can be cut into pieces that rearrange into each other. In space that fails, and the obstruction is a sum over edges of length against dihedral angle — zero for anything that fills space, and not zero for a regular tetrahedron. The whole argument reduces to one claim about one angle, and that claim is an integer computation: a sequence that is never divisible by three, when it would have to be.

Lattices

The repeating scaffold underneath every crystal. Five in the plane, fourteen in space, and no others — a classification with a short proof.

Three places to put the boundary. A large site and a small one, with three candidate boundaries between them. Halfway is the ordinary Voronoi cell and it cuts through the large sphere. Splitting in the ratio of the radii is the natural repair and its surfaces are not planes, so the cells do not fit together. The power plane sits where the tangent lengths agree, which is further from the large site than halfway and is still a plane — and being a plane is the whole reason the construction works.

Where the boundary goes when the atoms differ

Assigning each point of space to the nearest atom is the right rule only when every atom is the same size. Splitting the distance in the ratio of the radii is the obvious repair and it produces curved faces that do not fit together. The repair that works measures to a sphere rather than to a point: the boundary stays a plane, the cells still tile exactly, and a small enough atom loses its cell altogether — at a radius ratio of exactly one in eight.

Operations

Rotations, mirrors, glides and translations — what a symmetry is, how they compose, and why the composition is a group rather than a list.

The boundary a growing region forgets

Quoting a density assumes the region it was averaged over does not matter, and that assumption is a property of the group of translations rather than of the crystal. A ball in a plane group grows like R² and its boundary like R, so the edge becomes negligible — and where that fails, the average genuinely moves. The free group on two generators keeps two thirds of itself on the boundary forever, and a slab seven layers deep is wrong by exactly one seventh however wide it is made.

What symmetry decides

Thirty-two classes, enumerated rather than listed — and then the one thing they are for outside crystallography's own bookkeeping: which components of a physical property a crystal is permitted to have before anybody measures it.

Cubic means the Sylow 3-subgroup is not normal. The thirty-two sorted two ways at once: by crystal system and by whether the Sylow 3-subgroup is normal. Two of the four boxes are empty, so the two properties coincide exactly. That gives 'cubic' a definition with no geometry in it — a class is cubic when its threefold subgroups are conjugate to each other rather than unique — and it explains why a cubic class has no principal axis: a group cannot single out one member of a conjugate family.

How many axes there are is a Sylow count

Sylow's theorems say that the subgroups of prime-power order in a finite group are all conjugate and that how many there are is congruent to one modulo the prime. Applied to the thirty-two crystal classes that arithmetic counts axes: the number of Sylow 3-subgroups is the number of equivalent threefold directions, it is four in exactly five classes, and those five are the cubic ones. So cubic has a definition with no geometry in it.

The table of marks of 4mm. Every conjugacy class of subgroup of 4mm, against every other. The entry is the number of cosets of the column's subgroup that the row's subgroup holds still. The first row is the identity, which fixes everything, so it is the size of each coset space; the last column is the whole group, whose only coset is fixed by everybody.

The table that decides every action

Burnside's lemma counts orbits and stops there — two completely different actions with the same orbit count are indistinguishable to it. The object that settles the whole question is a square table whose entries count fixed cosets: lower triangular because a subgroup fixes no coset of anything smaller, positive on the diagonal because it fixes its own, and therefore invertible. Inverting it turns a list of fixed-point counts back into the orbits themselves.

Lattices

The repeating scaffold underneath every crystal. Five in the plane, fourteen in space, and no others — a classification with a short proof.

Three lattices no congruence can separate. The three reduced forms of discriminant minus twenty-three, with the integers each represents. The principal form represents one and the others do not; the others represent two and it does not. So they are genuinely different lattices — and they represent exactly the same residues modulo twenty-three, so they are in one genus and no congruence condition of any kind distinguishes them.

Lattices that agree at every prime

Counting the plane lattices with a given metric determinant is a class number. Above it sits a coarser count — the genus, which is what congruences can see — and for most small determinants the two agree. At discriminant minus twenty-three they part: three lattices representing exactly the same residues modulo everything, and different integers. No argument modulo any number can tell them apart, and they are not the same lattice.

The classification

Exactly seventeen ways to fill the plane with a repeating pattern. Not a fact to memorise: a theorem, with a finite argument and no eighteenth case.

The five, as generator counts. Each of the five convex bodies that tile space by translation, built as the set of combinations of a handful of vectors with coefficients between zero and one. Three generators give a cube, four give either a hexagonal prism or a rhombic dodecahedron depending on whether three of them are coplanar, five give the elongated dodecahedron and six the truncated octahedron. The last column is what the same number of generators would give in general position, and the shortfall is the number of faces lost to coplanarity.

Every parallelohedron is a shadow of a cube

Take a few vectors and form every combination of them with coefficients between zero and one. All five of the convex bodies that tile space by translation come out of that recipe, from three vectors, four, four, five and six — and since the recipe is exactly the image of a cube of that many dimensions, the truncated octahedron is a three-dimensional shadow of a six-dimensional cube. The five are not the generic answers: they are the degenerate ones, and the degeneracy is what the tiling demands.

Symmetry at work

Crystal forms, twins, domain walls and grain boundaries. Mineralogy, metallurgy and ferroelectrics each worked these out separately, and every one of them turns out to be an orbit or a coset of a group already built here.

Five solids, twice each. Each Platonic solid as a framework of rods hinged at the corners, and again with its faces made rigid by adding their diagonals. The rank of the rigidity matrix reaches 3V − 6 exactly when the framework cannot move; the shortfall counts the ways it can. Three of the five are rigid as rods and all five are rigid as plates, which is Cauchy's theorem in the form a rank computation can see.

The polyhedra that can flex

A cube of rods folds and a cube of cardboard does not, and the difference is a rank. Cauchy proved in 1813 that a convex polyhedron with rigid faces is rigid; the rank of a rigidity matrix sees it directly, and it also sees where the hypothesis is doing the work. Drop convexity and an octahedron flexes — followed here for forty steps with every edge length held to five parts in a thousand million million.

Lattices

The repeating scaffold underneath every crystal. Five in the plane, fourteen in space, and no others — a classification with a short proof.

$The three minima of seven lattices. Every lattice scaled to covolume one, with the smallest radius at which a ball holds one, two and three independent lattice vectors. The last column is the shortest vector as a fraction of the longest any lattice of this volume can have — Hermite's constant — and only the face-centred cubic lattice reaches it. The fifth column is the product of the three, which is capped whatever the lattice.$

A lattice cannot have all its vectors long

The three successive minima are the radii at which a ball first holds one, two and three independent lattice vectors. Nothing bounds any of them above on its own — a cell can be flattened without limit — but Minkowski's second theorem caps their product, so pushing one up forces another down. That is why every crystal has a shortest direction worth naming, and why a very anisotropic cell has a very short one.

Symmetry at work

Crystal forms, twins, domain walls and grain boundaries. Mineralogy, metallurgy and ferroelectrics each worked these out separately, and every one of them turns out to be an orbit or a coset of a group already built here.

Nine graphs against two conditions. Every candidate graph with the two quantities Steinitz's theorem asks for: the largest number of vertices that can be removed while it stays connected, capped at three because three is all the theorem needs, and the number of edges against the most a planar graph on that many vertices can have. The connectivity is decided by removing every pair and testing what is left, which is the definition rather than a proxy for it. Five of the nine pass both and are the graphs of convex polyhedra; the other four fail exactly one condition each, which is why they are here.

A polyhedron is two properties of a graph

Steinitz's theorem says a graph is the corner-and-edge graph of a convex polyhedron exactly when it can be drawn in the plane without crossings and stays connected after any two vertices are removed. No lengths, no angles, no convexity — the conditions are about the graph alone, and each one is needed, which four small counterexamples show.

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.

Seven fields and the number that counts each one. The degree of each field, computed by triangulating the sphere drawn round the defect, mapping every vertex, and adding the signed areas of the image triangles. The total is 4π times the degree, and the integral column is that total divided by 4π before rounding. Each is read on three successively finer meshes and required to give the same integer on all three, because a mesh too coarse for its field does not produce a noisy answer — it produces a confident wrong one.

The point defect whose charge has no sign

A line defect is read on a loop; a point defect is read on a sphere, and the number that comes off the sphere is a degree. In a nematic that degree is an integer whose sign depends on a choice nobody can make — and the media where no such number exists at all are exactly the ones whose residual symmetry is a crystal class.

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