The collection

Every essay — page 5

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

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.

Each arithmetic class holds exactly one symmorphic group. The arithmetic crystal classes this site enumerates in full, with the number of space groups each produces and the number of those that are symmorphic — that is, that have an origin at which every operation's translation part vanishes. The right-hand column is one in every row, over 25 groups in all, and the figure asserts it rather than reporting it. That is the bijection behind the number 73: there are seventy-three arithmetic crystal classes in three dimensions and seventy-three symmorphic space groups, and the correspondence is this one, class by class.

One symmorphic group per class

Every arithmetic crystal class holds exactly one space group in which some origin clears every translation part at once. That bijection is why there are seventy-three symmorphic space groups and seventy-three arithmetic classes, and it is checked here class by class rather than counted.

8 figures

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.

Solving from the vector set

A Patterson map contains a copy of the structure laid over every atom in turn. Shift it by one interatomic vector, take the pointwise minimum with itself, and the copies that fail to coincide are cut away — leaving the structure, together with its inverse, from a measurement that carries no phases at all.

8 figures

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 Alhambra question

Textbooks say the Alhambra contains all seventeen wallpaper groups. Careful analysts of the same building have counted eleven, thirteen, fourteen and seventeen — and the disagreement is not about the mathematics but about what counts as an instance.

7 figures

Order without repetition

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

Sliding the window catches different points. The periodic lattice that cut-and-project starts from, with the strip drawn at two positions 0.21 apart, which is 15 per cent of the window's width. Most lattice points are caught by both; a few are caught by one and not the other, and those are the whole difference between two quasicrystals. The slope has not changed, so the density, the two tile lengths and the ratio of their frequencies are identical — the offset is a parameter with no energy attached to it, which is what makes a phason a degree of freedom rather than a defect.

The freedom a crystal has not

Slide the window of a cut-and-project construction and the tiling changes — different tiles in different places — while its density, its tile ratio and its diffraction pattern do not. That parameter is a phason, it costs nothing, and no local measurement whatever can determine where it sits.

8 figures

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 same pattern, described twice

Two coordinate lists for one structure can disagree in every number and describe exactly the same arrangement, because a group does not fix its own origin. The operations that may be applied to a description without changing what it describes are its normaliser, and they can be found by looking at pictures rather than at matrices.

9 figures

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 spontaneous vector in 222. Averaging each of the three axes over the 4 operations of 222 leaves 0 independent components. No direction survives, so the class permits no spontaneous polarisation at all — which is a statement about what is forbidden, not about any measurement.

The ten with a direction of their own

A crystal has a spontaneous electric polarisation only if some direction is left completely alone by every one of its symmetry operations. Ten of the thirty-two classes have such a direction, and the same ten are computed here twice by routes that share nothing but the group.

7 figures

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.

How many ways each class can lose symmetry. Every crystal class, with the number of distinct classes it can descend to — 247 parent-and-child pairs in all across the thirty-two, counted up to conjugacy in the parent, which is the equivalence that says two descents differing only by which axis was chosen are one transition. The count rises steeply with the order of the parent, which is why the cubic and hexagonal holohedries dominate the list of materials with rich domain structures.

Two hundred and forty-seven descents, or two hundred and twelve

How many distinct ways can a crystal lose symmetry? Counting parent-and-child pairs up to conjugacy in the parent gives 247. The standard enumeration in the ferroics literature gives 212, and the operation that merges the extra thirty-five turns out to be a rotation through forty-five degrees — which no lattice may have, and which no integer matrix in a lattice basis can therefore express.

7 figures

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.

Six classifications, and which are enumerated here. The families of symmetry groups by how many directions they repeat in and how many they live in. The thirty-two crystal classes, the seven friezes and the seventeen plane groups are each built from their own operations and counted. The seventy-five rod groups, the eighty layer groups and the two hundred and thirty space groups are numbers from the literature, marked as such wherever they appear: reaching them needs the translation extensions and their equivalences in full, which is the content of the classification rather than an application of it. The subperiodic cases sit exactly between the two halves, which is why they are so easy to assume are already known.

A layer is not a wallpaper

A sheet repeats in two directions and lives in three, and its symmetry group is not one of the seventeen. There are eighty of them, the difference between one and another is a single sign per operation, and the arithmetic that supplies those signs is the arithmetic of a two-coloured pattern.

7 figures

Symmetry at work

Σ5: two square lattices at 36.87°. Two square lattices, one turned through 36.87° about a shared point. At this angle one point in 5 lands exactly on a point of the other lattice — 29 of the 149 drawn — and those shared points are themselves a lattice, the coincidence site lattice, of index 5. The angle comes from tan(θ/2) = 1/3, and Σ is the odd part of 3² + 1² = 10. Nothing here is measured: whether a point is shared is decided by an integer congruence.

Turn a lattice against itself and almost nothing lines up

Two copies of one lattice rotated about a shared point share that point and, at almost every angle, no other. At a discrete set of angles they share a whole sublattice — one point in three, or five, or seven — and a grain boundary built on such an orientation costs a fraction of what a general one costs, because a fraction of the atoms are already where both sides want them.

7 figures

Lattices

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

The sublattices that stay square

A sublattice of the square lattice is itself square exactly when its index is a sum of two squares — so index five has two and index seven has none, and which superstructures a surface can form is decided by a theorem of Fermat's about primes.

7 figures

What symmetry decides

What the inversion does to three sums in 4/mmm. The 16 operations of 4/mmm come in pairs — every operation together with its own negative, because the class contains the inversion — and each row pairs the two terms they contribute. For an even-rank polar property the pair is two equal bars: the inversion changes an even number of indices and the character cannot see it, so the average is whatever it was before the inversion was added. For an odd-rank polar property and for an axial one the pair is a bar and its reflection, and the sum is exactly zero — which is why piezoelectric moduli and gyration tensor are forbidden here outright rather than merely small. Neither statement is about this class: the cancellation is checked over all 11 centrosymmetric classes and all four odd or axial properties every time this figure is drawn.

Twenty of the twenty-one

Twenty-one crystal classes have no centre of symmetry, and twenty of them permit piezoelectricity. The exception is 432, which has twenty-four operations, no inversion, and a character sum that cancels to nothing — and the reason it fails is not that it has too much symmetry in any ordinary sense.

6 figures

Symmetry at work

Every coincidence index is odd. The rotations that bring a cubic lattice into coincidence with itself, up to index 25: 17 distinct relations across 12 indices, each found by enumerating integer quaternions and each index computed as the size of a sublattice rather than from the usual formula — the two are then required to agree. 5 of the 12 indices carry more than one relation, which is why the tables write 13a and 13b. Every index is odd. That is not a feature of this range: a rational orthogonal matrix written in lowest terms has an odd denominator, so the factors of two always cancel.

Every coincidence index is odd, and in the plane most of them do not exist

The indices at which two copies of a cubic lattice share points are 3, 5, 7, 9, 11 and every odd number after them. There is a two-line proof that no even index can occur. Ask the same question about a square lattice and the answer is a different list entirely, governed by which numbers are sums of two squares — so Σ3, which is the commonest boundary in every metal, has no plane analogue at all.

7 figures

What symmetry decides

May be piezoelectric, against may be optically active. Two questions asked of all thirty-two classes, and the classes where the answers part company. 14 classes are in both lists, 6 in only the first, 1 in only the second and 11 in neither. Both lists are computed from the same character sum with a different tensor, so a class appearing in one and not the other is a statement about which representation survives rather than about anything measured. Every entry is a permission: a class in a column is a class whose symmetry fails to forbid the effect, which is a weaker statement than it is usually read as.

Each permits what the other forbids

432 and 4̅3m are both cubic, both of order twenty-four, both without a centre. One of them can be piezoelectric and the other can be optically active, and it is not the same one — which is as clean a demonstration as the subject offers that "amount of symmetry" is not a quantity.

6 figures

Lattices

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

The Wigner–Seitz cell of the hexagonal lattice. Every point closer to the central lattice point than to any other. The faint lines run to the 6 neighbours whose perpendicular bisectors bound the region; every other lattice point is cut off by one of them. The cell has exactly the area of a unit cell — asserted while the figure is drawn, against √det G computed from the metric — and it carries all 12 of the lattice's symmetries, which a conventional cell need not. Nothing was chosen to build it: no basis, no axes, no convention. Two people who agree about the lattice cannot disagree about this cell.

The cell nobody chose

Every unit cell on this site is a convention, and one construction escapes the warning entirely: the region of the plane closer to one lattice point than to any other. It needs no basis, no axes and no rule — and its combinatorics are decided in integers, with the square roots confined to drawing it.

9 figures

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.

Subgroups of index 3, across the seventeen. Every subgroup of index 3 with cyclic quotient in each of the seventeen plane groups, sorted into the two kinds: 4 keep all the translations and lose operations, 22 keep all the operations and lose translations, and the total is 26. The split is decided by whether the homomorphism onto ℤ3 kills the two lattice translations, which is a property of the kernel and not a judgement. Every one of them is found by enumeration inside the finite quotient by 3Λ, and the count for the whole classification is a measurement.

Three colours, and why most patterns cannot have them

Seventy-four of the seventeen plane groups' subgroups have index two, and every group but one has at least one. At index three there are twenty-six, and ten of the seventeen have none at all — because a symmetry of order two cannot survive being asked to permute three colours.

7 figures

Symmetry at work

13 of one on 12 of the other. Two rows of atoms whose spacings are in the ratio 1.042. Every 12 cells of the substrate come to within 3.97 per cent of 13 cells of the film, so the two are nearly in register at those points and out of register between them. There is no exact coincidence anywhere, and there cannot be: exact coincidence needs the ratio to be rational, and no measured ratio is.

Two different lattices never coincide, and the question becomes how nearly

Grow one crystal on another and their spacings are in a ratio that no measurement ever makes rational, so exact coincidence is unavailable in principle. What is left is the best rational approximation inside a tolerable repeat — a quantity that jumps rather than drifts as the ratio changes, and whose acceptability is decided by elasticity rather than by arithmetic.

6 figures

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 signatures, and the seventeen groups. Every combination of features costing exactly two, beside the plane group each one names. The left column is produced by an accounting identity that has never heard of a lattice; the right by reading seventeen groups' own operations — their rotation centres and orders, which of those lie on mirrors, and how many closed curves the mirror lines make once equivalent lines are identified. The map between the two lists is a bijection, and the figure does not appear unless it is one — in both directions. A signature with no group and a group whose signature is not on the list are both refused, and so is the failure that actually happens: two groups deriving one signature, which costs exactly two and passes every check but injectivity.

Seventeen dollars

Conway's magic theorem prices the features a folded-up pattern can have — a handle costs two, a mirror boundary one, a cone point of order n almost one — and requires the total to come to exactly two. There are seventeen ways to pay, and the classification falls out of an accounting identity that never mentions a lattice.

8 figures

Lattices

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

Two species on one lattice, ordered at index 2. Every position is a lattice point of the parent and none of them has moved. What has changed is which atom sits where: the larger marks are a sublattice of index 2, the smaller ones its other 1 coset, and the outlined cell is the new repeat. The lattice of positions is untouched and the repeat of the contents is 2 times as large, which is the whole of what an ordering transition does and the reason its signature is in reciprocal space rather than in the positions.

The reflections a superlattice adds

Centring a lattice makes reflections vanish. Ordering two kinds of atom onto a sublattice makes new ones appear, exactly n − 1 of them per parent cell, and their intensity is a difference rather than a sum — which is why an ordered alloy of two neighbouring elements can be invisible to X-rays and obvious to neutrons.

9 figures

What symmetry decides

Every property count, in every class. For each of these 32 classes, how many independent components a property may have: elastic constants from 21 down to 3, piezoelectric moduli from 18 down to 0, dielectric tensor from 6 down to 1, pyroelectric vector from 3 down to 0, gyration tensor from 6 down to 0. Every number is a character averaged over the class's own operations, computed in the lattice basis with integer arithmetic. A zero means the symmetry forbids the property outright; a positive number means it does not forbid it, which is a weaker statement than it is usually read as.

A filter of great precision and no predictive power

The whole table in one place — thirty-two classes, six properties, 192 exact integers. What it settles, what it merely permits, and why knowing which of the two is happening at any moment is the entire skill of using it.

6 figures

One hundred and twenty-two magnetic point groups. The three kinds, counted. Thirty-two ordinary groups, which contain no primed operation; thirty-two grey groups, which contain time reversal on its own and are the symmetry of anything magnetically disordered; and fifty-eight black-and-white groups, one for each way of splitting a class into a subgroup of index two and its complement. The last number is the one that has to be computed: the index-two subgroups are found by closure inside each class, reduced up to conjugacy, and reduced once more by an equivalence that needs a rotation no lattice may have. 32 + 32 + 58 = 122, and every term is a measurement.

The operation that reverses time

A magnetic moment is a current loop, so running time backwards reverses it and moves nothing. Admitting that as a symmetry operation turns the thirty-two crystal classes into a hundred and twenty-two — and eight of the merges needed to reach that number require a rotation no lattice may have.

7 figures

Symmetry at work

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.

7 figures

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 symmetry of a cut through Pnma. Every height in one cell, and the number of operations of Pnma that map the plane at that height to itself. The answer is 2 almost everywhere and rises to 4 at the special heights, where the plane group named above the spike is what a reader looking down at that surface would see. The rule is two conditions and no more: the operation must not tilt the plane, and the plane must come back to its own height — so a twofold axis lying in the plane survives at two heights per cell and a screw axis along the normal survives nowhere.

What a cleave leaves

A surface is a crystal that has been cut, and the symmetry it presents is what the space group leaves of itself on that plane. Two conditions decide it — the plane must not tilt, and it must come back to its own height — and the answer changes with where the cut was made.

8 figures

What symmetry decides

The classes that permit a spontaneous magnetisation. Every magnetic point group permitting a spontaneous magnetisation — 31 of the 122 — with the number of independent components each allows. an axial vector, reversed by time reversal — a ferromagnet has one and nothing else does. The count comes from averaging the character over the group, with a primed operation's contribution multiplied by −1 because the property reverses when time does. That is Neumann's principle with one extra sign in it, and it reproduces the numbers the literature records without being given them.

Which magnetism a class permits

Neumann's principle with one extra sign in it decides which of the hundred and twenty-two magnetic classes may have a spontaneous magnetisation and which may show the magnetoelectric effect. The answers are thirty-one and fifty-eight, and they come out of the same average that counts elastic constants.

7 figures

Symmetry at work

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.

8 figures

By idea · By group · By object · Search