The collection

Every essay — page 3

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

Lattices

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

Centring, counted as a sublattice

Adding the centre of every cell to a lattice produces another lattice, containing the first with index two. Doing it to each of the five in turn shows why the list is five rather than ten, and why only one of the five has a centred description worth keeping.

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Operations

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

A fundamental domain for p4m. One representative from every orbit of p4m, shaded, with the images that tile the rest of the cell. The domain was found by computing orbits rather than by drawing a region, and every sample's orbit was checked to meet it exactly once — so the region has neither a gap nor an overlap.

The fundamental domain

The smallest piece of a pattern from which the group rebuilds the rest. Drawing one is easy and drawing one correctly is not, because a region with a gap or an overlap looks exactly like a region without.

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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 seventeen sorted by lattice: 2, 5, 2, 3, 5. The five plane lattices, each drawn from the basis every other figure here uses, with the wallpaper groups that sit on it and the order of each against its lattice's holohedry. The counts are 2, 5, 2, 3, 5, which is seventeen again, arrived at by a different route from the case analysis on rotation order. Two relations hold and both are checked. Every group's order divides its lattice's holohedry, because an operation has to map the lattice onto itself before it can map the pattern onto itself — which is why a quarter turn has nowhere to live but a square lattice. And the converse fails on every one of the five: each lattice carries at least one group whose order falls short of what the lattice offers, so knowing the lattice narrows the group to a handful of candidates and never to one. The pairs printed in the accent colour are the groups that take everything their lattice permits.

The classification proof, one branch at a time

Seventeen is a theorem, and the argument that establishes it is a finite case analysis that fits on a few pages. Working through it is the difference between knowing the number and knowing why there is no eighteenth.

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Lattices

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

Building the reciprocal lattice from spacings. Each family of lattice rows has a spacing, and each contributes one reciprocal point: perpendicular to the rows, at the inverse of the spacing. The points built that way were compared against the algebraic definition and agree exactly.

The dual lattice, as a construction

The reciprocal lattice is usually introduced as a formula and then used as a fact. Building it instead — one point per family of lattice rows, at the inverse of the spacing — makes every property it has obvious rather than memorable.

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Order without repetition

Penrose tilings and quasicrystals — patterns with long-range order, five-fold symmetry, and no repeating cell at all.

The substitution, 6 generations. The rule "every long tile becomes a long and a short, every short tile becomes a long", applied 6 times from a single tile. Each generation is as long as the previous two together, so the tile counts are Fibonacci numbers — 13 long and 8 short at the last row — and their ratio is 1.62500 against the golden ratio's 1.61803. The sequence never repeats and every finite piece of it recurs infinitely often, which is order without periodicity in its smallest form.

The smallest quasicrystal

Two tile lengths on a line, in the golden ratio, in a sequence that never repeats. Three completely different constructions produce it, they are required here to agree, and its diffraction needs two integers per peak where a periodic chain needs one.

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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.

The thirty-two, by crystal system. 32 classes in 7 crystal systems. Each column is one crystal system and each cell one class, ordered by the number of operations it holds. Nothing here is tabulated: the classes come from the enumeration and the marking from a character sum over each group.

The holohedry is the ceiling

A crystal never has more point symmetry than its lattice. That single containment decides which system a class belongs to, why there are seven systems and not thirty-two, and why a lattice can be more symmetric than the crystal sitting on it — which is the usual case rather than the exception.

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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.

The 4₁ screw axis. 1 of the eleven screw axes a lattice permits, each drawn as the helix it is: 4₁. A turn of 2π/n followed by an advance of m/n of the repeat, so that n turns land exactly m cells along. 0 of those drawn are its own mirror image; the rest come in left- and right-handed pairs.

Turning and climbing at once

A rotation has a fixed point and a screw has none. That sounds like a small difference and it is the reason a space group is not a point group with extra letters, the reason two hundred and thirty is not seventy-three, and the reason a helix can be a crystal.

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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.

Which classes can twin by merohedry, and how many ways. Every crystal class, with the number of twin laws its own lattice offers it. The index of the class in the point group of its lattice is the number of orientations available; 25 of the thirty-two have more than one, and the 7 holohedral classes have exactly one — their crystal already has every symmetry their lattice has, so there is nothing left over to twin by. The names along the right are the old mineralogical ones: hemihedral for half, tetartohedral for a quarter.

Twenty-five of the thirty-two can twin, and seven cannot

The number of twin laws available to a crystal is the index of its class in the point group of its lattice, minus one. Doing that arithmetic for all thirty-two classes takes a moment and produces a census with a sharp edge on it — the seven classes that cannot twin this way are exactly the seven that already use everything their lattice has.

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Order without repetition

Penrose tilings and quasicrystals — patterns with long-range order, five-fold symmetry, and no repeating cell at all.

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

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.

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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 general positions of P2₁/c. Space group P2₁/c, number 14, projected down c on a primitive monoclinic cell. 12 general positions, the orbit of a three-point asymmetric motif, each labelled with its height along c and marked with a comma where the operation that produced it reversed handedness.

One part in however many, and why it is never quite that

A crystal's contents are the asymmetric unit repeated by the group. The unit's volume is the cell's divided by the order of the group — except that it is always a little more, and the excess is exactly the special positions counted whole.

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p4 inside p4m, by area. A fundamental domain for p4m beside one for p4, drawn by the same construction on the same grid. p4 sits inside p4m with index 2: it has 8 ÷ 4 = 2 times as few operations to rebuild the pattern with, so it needs 2 times as much of the cell to rebuild it from — measured here at 1.51 times as many samples. The two domains are one region and 2 copies of it, and the ratio between them is the index rather than a coincidence of shape.

Domains of a subgroup

A group with half the operations needs twice as much of the cell to rebuild the pattern from. That single sentence is the index arithmetic of the whole classification, and it turns the containments among the seventeen into a statement about area.

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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.

$The eleven screw axes, enumerated. An n-fold axis admits a screw for every m from 1 to n − 1, so the orders a lattice permits — 2, 3, 4, 6 — give 11 screws in all. Each row shows the fraction of a cell one turn advances, plotted between zero and one. 3 of them are their own mirror image, which happens exactly when m is half of n; the others pair off into left- and right-handed twins.$

Eleven ways to turn while climbing

Five rotation orders survive the crystallographic restriction, and each of them admits a screw for every whole number of cells its turns can amount to. That is a sum with four terms, and it is why there are eleven screw axes rather than some other number.

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Order without repetition

Penrose tilings and quasicrystals — patterns with long-range order, five-fold symmetry, and no repeating cell at all.

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.

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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.

A fundamental domain for p6m. One representative from every orbit of p6m, shaded, with the images that tile the rest of the cell. The domain was found by computing orbits rather than by drawing a region, and every sample's orbit was checked to meet it exactly once — so the region has neither a gap nor an overlap.

Orbifold notation, the shorter language

Fold a pattern up along its own symmetries and what remains is a small surface with marked points. Its shape is a complete name for the group, and reading the name off costs an arithmetic sum that has to come to two.

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What symmetry decides

$The eleven Laue classes. Adjoining the inversion to each of the thirty-two crystal classes collapses them onto 11 groups. Friedel's law says a diffraction experiment sees the crystal and its inverse alike, so this — and not the crystal class — is what a diffraction pattern's symmetry reports. The highlighted symbol in each row is the class that is already its own Laue class, which is to say the centrosymmetric one.$

The eleven a diffraction pattern reports

A diffraction experiment cannot tell a crystal from its inverse. So the thirty-two classes collapse to eleven before a single reflection is indexed, and a structure determination begins by answering a different question from the one it was asked.

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What a lattice forbids

Only two-, three-, four- and six-fold rotations are compatible with periodicity. The proof takes one line and the exception took a Nobel Prize.

$p2 in one cell, p4 on average. On the left, a molecule in one orientation at a site whose symmetry is larger than its own: the arrangement has 2 operations and the detector says p2. On the right, the average over the 2 orientations the site offers, which is what a diffraction experiment measures because different cells choose differently and nothing prefers one choice. The average has 4 operations — it is p4 — and every atom in it is present in half of the cells. Both groups are detected from the point sets rather than assumed, and the difference between them is the reason a refined structure can have symmetry no molecule in the crystal has.$

The symmetry of an average

A diffraction experiment measures an average over some 10²⁰ unit cells, and the average of several orientations is more symmetric than any of them. So a refined structure can carry symmetry that no molecule in the crystal has — including, in the worst case, a centre of inversion in a crystal built entirely of one hand.

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Symmetry at work

The twin laws of class 32. The point group of the lattice of class 32 has 24 operations and the class has 6, so it splits into 4 cosets: the crystal itself, and 3 twin laws. Every operation in a block produces the identical second orientation, which is why the block and not the operation is the law.

Quartz has exactly three twin laws, and its lattice is why

Class 32 on a hexagonal lattice has index four, so three twin laws and no more. They turn out to be the three the mineralogists named — Dauphiné, Brazil and the combination of the two — and reading quartz's lattice off its class instead of measuring it would have produced one law where there are three.

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Lattices

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

One lattice, two cells, and the absences the choice creates. The same set of points described on a centred rectangular cell and on its primitive rhombic cell, with what the centred description scatters. Half the reflections vanish, and they vanish because of how the cell was drawn rather than because of anything the crystal does.

Why the bigger cell wins

A centred cell has twice the area it needs and crystallography prefers it anyway. The preference is not conservatism — it buys operations that read as whole numbers along the axes, and the price is a set of reflections that vanish for reasons having nothing to do with the crystal.

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How it is known

A crystal's structure is read from the pattern it scatters. The reciprocal lattice, systematic absences, and what an experiment can and cannot see.

The h0l layer of P2₁/c. The h0l reflections of P2₁/c out to 4 in each index, with each spot decided by summing the structure factor over the group's operations: 44 survive and 36 vanish identically, whatever the atoms are. The pattern of holes is the condition h0l: l even, read back off the spots rather than imposed on them.

The reflections that are not there

A screw axis and a glide plane leave no mark on the intensity of any reflection. What they do is delete some, exactly, for every possible arrangement of atoms — and the pattern of deletions is computed here from the sum a crystallographer writes down, rather than read from a table.

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What symmetry decides

Neumann's principle for elastic constants in mmm. Each bar is one operation's contribution to the character of the representation the elastic constants live in — the stiffness of the crystal in every direction and shear. The identity contributes the unconstrained count of 21; every other operation of mmm subtracts from it, and the average over all 8 is 9, which is how many independent components the property may have. The sum is exact in integers and is taken in the lattice basis, so no Cartesian frame is chosen anywhere in it.

Neumann's principle, as one sum

A physical property of a crystal must be unchanged by every symmetry the crystal has. That is a whole subject in one sentence, and it reduces to arithmetic: how many independent components a property may have is a character averaged over the point group, exact in integers.

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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.

The five kinds of glide plane. All five glide letters: a, sliding by a/2; b, sliding by b/2; c, sliding by c/2; n, sliding by (a+b)/2, (b+c)/2 or (a+c)/2; d, sliding by (a+b)/4, (b+c)/4 or (a+c)/4. 3 of those drawn are axial — the slide is half of a single cell vector lying in the plane. A glide's square is a pure translation, so its slide can only be half of a lattice vector, and the quarter-cell d glide exists only where centring has already made the half-diagonal a lattice vector.

Reflect, then slide by half of something

A glide's slide must double to a lattice vector, which leaves three candidates in any plane and a fourth that exists only where centring has already made a half-diagonal into a lattice vector. Five letters, and the fifth is the one the enumeration explains.

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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.

How often a dot gives the wrong group. Every position on a grid inside the cell, tried as a single-dot motif for each of the seventeen groups. The bar is how often the resulting pattern turned out to have more symmetry than the group it was made with — so the caption would have been wrong and nothing about the picture would have shown it.

The groups ornament actually uses

Seventeen exist and decoration does not use them evenly. Which are common is an empirical question that published surveys answer differently, and part of the reason is a hazard this site can measure exactly.

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Symmetry at work

$p3, single and twinned. Left, the diffraction pattern of a single crystal of p3. Right, the same crystal twinned, with 50 per cent of it in one orientation. Not one spot has moved — the twin law is a symmetry of the lattice, so the two reciprocal lattices lie exactly on top of one another — and 72 of the 81 reflections drawn have changed intensity. At a fifty-fifty twin the pattern acquires the full symmetry of the lattice's point group and is indistinguishable from a crystal that genuinely has it.$

A merohedral twin moves no spot at all

The twin law is a symmetry of the lattice, so the two individuals have reciprocal lattices lying exactly on top of one another. Nothing splits, nothing appears in a new place, and the only thing that changes is that pairs of intensities which were different have been averaged — which produces a diffraction pattern with a symmetry the crystal does not have and no sign that anything is wrong.

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Order without repetition

Penrose tilings and quasicrystals — patterns with long-range order, five-fold symmetry, and no repeating cell at all.

$A chain modulated at q = 0.211. The lower row is the lattice: 34 sites, evenly spaced. The upper row is the structure: the same sites displaced by a wave of amplitude 0.12 of a spacing and wavevector 0.211, drawn through them. Because 0.211 is not a ratio of small whole numbers, no cell of any size holds the structure — the displacement pattern never repeats — and yet the atoms are nowhere near random: each one is exactly where a single sine wave says it should be. That is what an incommensurately modulated crystal is, and its diffraction pattern is sharp.$

The satellites that need a second integer

A crystal whose atoms are displaced by a wave of the wrong wavelength has no unit cell at all, and diffracts to sharp spots anyway. Indexing them takes two integers per reflection instead of one — and the intensities of the extra spots are Bessel functions, which is a check the arithmetic can be made to pass.

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