The collection

Every essay — page 6

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.

The thirty-two, in both notations. Each class with the symbol crystallography uses and the symbol spectroscopy uses, both derived from the class's own matrices. The Hermann–Mauguin symbol is a report on three families of directions, read in an order the lattice system fixes. The Schoenflies symbol is a report on a construction: a principal axis of order n, whether there are n twofold axes across it, and which mirrors were added. Neither can be computed from the other without going back to the group, which is why the two lists are set beside each other rather than one derived from the other.

One class, two names

Hermann–Mauguin names directions and Schoenflies names a construction, and the two are derived here from the same integer matrices by computations that share no step. Neither can be obtained from the other without going back to the group — which is why a molecule has one kind of symbol and a crystal has both.

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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.

Two half-turns make a translation. The half-turn about (0.25, 0.25) followed by the half-turn about (0.75, 0.5) is the translation by (1, 0.5) — twice the vector between the two centres, and not the vector itself. The open lens is a third centre, and it is not the midpoint of the two drawn: it is where the half-turn about the first lands when it is composed with one repeat vector of the lattice, which is half a repeat along. That is the step that puts two-fold centres on the half lattice and gives a p2 cell four inequivalent ones. Both the translation and the forced centre are computed from the operations and compared with the construction in exact rational arithmetic.

Where the product is

Composing two symmetries lands on a third — and the third one is somewhere. Two half-turns make a translation by twice the distance between their centres, and that single fact puts the lattice into a pattern before anybody chooses one.

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What each group leaves distinct. The number of genuinely different ways of putting 2 species on the cells of a 4 × 4 block, for 9 plane groups. Every row starts from the same 65,536 arrangements; what differs is the group identifying them. Each count is Burnside's average of fixed points, and each was required to divide exactly by its group's order.

Counting what a group cannot tell apart

Sixty-five thousand ways of putting two species on sixteen sites; eight hundred and five structures. The difference between those numbers is not a division, because the symmetric arrangements have short orbits — and the count that gets it right is an average of fixed points.

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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.

The first 4 zones of the square lattice. Zones one to 4, each in its own shade. The n-th zone is the set of wavevectors with exactly n − 1 reciprocal lattice points nearer to them than the origin is, so the boundaries are the perpendicular bisectors and nothing else. The zones get further out and break into more pieces — 1, 4, 8, 12 fragments — and every one of them has the area of a single cell.

The zones above the first

The second Brillouin zone is a scattering of disconnected fragments in a different part of reciprocal space from the first, and it has exactly the same area. So does the third, and the seventh. The reason is that each of them is the first zone, cut up and moved.

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Six integers that do not depend on the description. The same monoclinic lattice written in 4 different bases, each obtained from the last by an integer matrix of determinant one, and each reduced by Niggli's algorithm. Every one of them gives the same six integers — the squared lengths and twice the dot products of the reduced basis. That is what makes the reduced form a fingerprint of the lattice: two cells with no number in common are the same lattice exactly when their reduced forms agree, and the comparison has no tolerance in it.

The cell that settles the argument

Two determinations of one compound can report cells that share no number and describe the same lattice. Reduction is the procedure that decides — six integers that depend on the lattice and not on anybody's choice of axes, and that agree exactly when the lattices do.

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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 much a count of descriptions over-counts. For each plane group that has any two-colouring at all: how many colourings it has, how many designs those come to, and the ratio between them. Over the seventeen the ratio is 1.61, and group by group it runs from 1.00 — where nothing is identified — to 3.50 at p2, whose seven colourings fall into one class of six and one of one. The tick on each row is that row's largest single class, and it is at least the bar and usually more. The largest class anywhere is p2's 6, and that same group over-counts by only 3.50, because a factor is a mean over the group's classes and a mean reaches its largest term only when every term equals it. Reading the largest class as the over-count is therefore an over-statement, always. And the factor varies from group to group, which is why no single correction turns a count of descriptions into a count of designs after the fact.

Seventy-four colourings, forty-six groups

This site counts the two-colourings of the seventeen and gets seventy-four. The literature says there are forty-six two-colour wallpaper groups. Both numbers are right, and the gap between them is a disagreement about when two coloured patterns are the same pattern.

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The (2, 3, 7) group, in the Poincaré disk. A triangle with angles π/2, π/3 and π/7, reflected in its own three sides until depth 12: 380 triangles, alternating in handedness because every generator is a reflection. The sum 1/2 + 1/3 + 1/7 is less than one, so the triangle does not fit in the flat plane and the drawing is of the hyperbolic one, with the whole plane squeezed inside a disk. Every triangle has the same hyperbolic area; the ones near the edge look small because the model shrinks distances there, and the tiling stops at the edge of the drawing rather than at the edge of anything.

Past two, the list does not stop

Conway's accounting says a wallpaper group costs exactly two dollars, and there are seventeen ways to spend it. Spend less and the answer is a finite group. Spend more and the list is infinite — but the cheapest thing past two costs two and one eighty-fourth, and nothing at all lies in between.

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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.

Thirteen ways to hold a lattice

The crystallographic restriction is about one matrix. A crystal has a whole group of them acting on one lattice at once, and asking how many such groups there are gives thirteen — not the ten of the plane point groups, and not the seventeen of the plane groups.

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The most of an icosahedron a crystal can keep

C₆₀ sits in crystals and virus capsids sit in crystals, and neither of them stops being icosahedral. What a lattice can fix is a subgroup — and the largest crystallographic subgroup of the sixty rotations has order twelve, at index five. The five are Kepler's five cubes.

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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.

$A quasilattice down a 5-fold axis: 10-fold, from an axis of order 5. 153 points of a three-dimensional quasilattice, made by keeping the points of Z⁶ whose perpendicular image lies inside a window and projecting them into ordinary space, then viewed along one of its 5-fold axes. There is no lattice here and no unit cell, and the symmetry is nevertheless exact: all sixty rotations of the icosahedral group carry the set onto itself, on 153 points of its core, measured by applying them rather than assumed from the construction. Seen down this axis the set comes back to itself under a turn of a 10th and no finer turn, measured over every turn up to a twelfth — twice the order of the axis, and the factor of two is a centre of symmetry: this set equals its own negation, which is what a window centred on the origin produces, and that is checked here rather than assumed. A diffraction experiment would record the same 10 whatever: the measured intensity acquires a centre whether or not the structure has one, so the tenfold photograph of 1982 does not by itself distinguish a structure with a centre from one without.$

Six integers, and the lattice that holds them

A fivefold rotation is not an integer matrix in three dimensions and is one in six. The icosahedral group permutes its own six fivefold axes, so in coordinates along those axes every one of its sixty rotations is a signed permutation — and Z⁶ is a lattice it maps onto itself.

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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.

$N(z): the fraction of reflections weaker than z. The cumulative distribution of normalised intensities, measured on two structures built from the same atoms — one with an inversion centre, one without — and drawn against the two closed forms, 1 − e^(−z) without a centre and erf(√(z/2)) with one. The curves are furthest apart at small z, which is the useful end: a centrosymmetric structure has far more nearly-absent reflections, because its structure factor is a single real number that can pass through zero rather than a complex one that rarely does.$

Whether there is a centre is a statistic

Everything else on this site is decidable: a pattern has a symmetry or it does not, and the detector settles it in integers. Whether a structure has an inversion centre is not like that. No single reflection carries the answer — the distribution of all of them does.

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Two candidates, and the sign that chooses. The phase of reflection (2, 3), recovered from three measurements and no model. The circle is every complex number of the measured amplitude; the isomorphous difference fixes the cosine of the angle between the unknown phase and the heavy atom's, leaving the two candidates marked; the anomalous difference fixes the sine, which picks one. The recovered phase agrees with the true one to fifteen decimal places, and the true phase was never used in the calculation.

One experiment gives the cosine, the other gives the sine

Friedel's law holding exactly is what makes the phase unreachable. Its breaking is what hands it back: an isomorphous difference fixes the cosine of the phase and leaves two candidates, and the anomalous difference fixes the sine, which chooses.

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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.

Aem2: one plane, two glides. The plane of Aem2 that carries two operations, drawn edge-on with each slide beside it. The two differ by the A-centring translation, which lies inside this plane — that is the whole condition for a plane to carry two, and it is why no primitive group has one. Both slides are axial, b and c, so neither letter has a claim on the symbol, and before 1992 the Tables simply chose. The letter e is the choice being refused.

The plane that carries two glides

A plane can hold two glide operations at once, with slides that have no claim on each other. Every symbol printed before 1992 chose one of them, so the name recorded a convention rather than a group — and the International Tables invented a letter to stop it.

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Pnma has 6 names. The group Pnma with its three axes relabelled in each of the six possible ways. Every row is the same group, and each row is checked as it is drawn: the change of basis has determinant one, conjugating back gives the original operations exactly, and the census of screws, glides, mirrors and rotations is unchanged — and 6 different symbols come out. Each symbol is derived from the conjugated operations, not looked up, by the same routine that has to reproduce the symbol every group was entered under.

Six ways to name one group

Pnma is also Pmnb, Pbnm, Pcmn, Pmcn and Pnam. Nothing about the crystal changes between those six; what changes is which axis was called a. In an orthorhombic group the axes are inequivalent and unlabelled, and naming them is a choice made six ways.

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What symmetry decides

Three shapes, and nothing else. The dielectric tensor of a crystal is an ellipsoid, and averaging a generic one over a point group leaves exactly three possibilities: a sphere, where all three principal values agree and the crystal is optically isotropic; a spheroid, where two agree and there is one optic axis; and a general ellipsoid, with two. The counts are 5, 19 and 8 of the thirty-two classes, and they were found by computing the eigenvalues rather than by sorting the classes by system.

Three optical characters, and the arithmetic that assigns them

A cubic crystal cannot be birefringent, whatever it is made of. Between crossed polars it stays dark at every rotation, and the reason is that averaging any ellipsoid over a cubic point group leaves a sphere — a permission computed before anybody measures anything.

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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.

Three lattices at 2 forms each: 6, 14, 12 faces. The shape each cubic lattice predicts, built as the solid bounded by its top 2 forms, with each face's distance from the centre inversely proportional to its interplanar spacing. The three lattices have the same metric and the same list of indices; every difference between these solids comes from which reflections are systematically absent. Pm-3m leads on {100} and comes out with 6 faces; Fm-3m leads on {111} and comes out with 14 faces; Im-3m leads on {110} and comes out with 12 faces. Taking more than the leading form matters only where the extinction correction has moved something: in a cubic metric a form's planes are placed at a distance proportional to the root of the sum of the squares of its indices, which is exactly where the corresponding corner of the cube already is, so an uncorrected second form arrives tangent and cuts nothing off.

Which faces a crystal shows

Rock salt grows as cubes, fluorite as octahedra, garnet as dodecahedra. All three have cubic lattices and the same list of possible faces, and what separates them is which reflections are systematically absent — a rule about diffraction predicting a shape a mineralogist can hold.

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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 group in four letters

Every other essay here describes a symmetry group by what it does to the plane. There is a second description — a handful of letters and the words in them that are required to equal nothing — and it can be counted with no plane anywhere in the computation.

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p3m1 and p31m, told apart without a picture. The two groups this site returns to most often: same point group, same lattice, same number of operations, and distinguished in every other essay here by where their mirrors sit relative to the lattice — which is a fact about the plane. Abelianised, they are ℤ2 and ℤ6, which are not isomorphic. That difference is a fact about the groups: no change of basis, no redrawing and no relabelling can carry one to the other, and the argument never mentions a mirror line.

What is left when the order is forgotten

Abelianising a group throws away the order of the letters in every word and leaves a small abelian group behind. It is computed by a Smith normal form, it never mentions the plane, and it separates p3m1 from p31m — which a picture can only illustrate.

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How few operations make a pattern

A plane group is infinite, and a handful of its operations is enough to rebuild all of it. How small a handful is a question with a floor from the abelianisation and a ceiling from an exhaustive search, and for fourteen of the seventeen the two numbers meet.

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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.

Five shapes, and a lattice in space has no other. The five combinatorial types a Wigner–Seitz cell can have in three dimensions — cube, hexagonal prism, rhombic dodecahedron, elongated dodecahedron, truncated octahedron — each drawn from a lattice that produces it. Fedorov proved in 1885 that there are no others, and that fourteen faces is the most any of them has, which is Minkowski's bound of 2(2ⁿ − 1) in three dimensions. Each solid here is cut out by the perpendicular bisectors of nearby lattice vectors and its volume checked against the primitive cell's, which is what catches a face that failed to appear.

Five parallelohedra, and no others

The cell that needs no basis and no convention has, in three dimensions, exactly five shapes. The fourteen Bravais lattices produce all five between them — and which one a lattice gives is not decided by which of the fourteen it is.

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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.

Subgroups of index two, three and four. Every plane group with the number of subgroups it has at each small index, counted by enumerating the transitive actions on that many points. The zeros are the interesting entries: p3 has no subgroup of index two and the four-fold groups have none of index three, because a subgroup of index n gives an action on n points and the group has to have a quotient that can act. A rotation of order three has nowhere to go in a set of two, and one of order four has nowhere to go in a set of three that is not the identity — so the index is constrained by the point group before any geometry is done.

How many subgroups of index three

Taking operations away and closing what is left finds the maximal subgroups and stops there. Counting instead the ways a group can act on three points finds all of them — and finds that a four-fold group has none of index three at all.

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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.

Every group decided by a window of radius 1. For each of the seventeen, the radius at which a round window on the pattern admits exactly the group's own operations and no others — with the numbers it admits at each smaller radius beside it. Two opposite failures are visible. Most groups under-report at small radii, because an operation carrying points out of the window cannot be tested at all; cm over-reports, admitting operations the pattern does not have. The groups that take longest to settle are the ones distinguished by a glide, which moves a point half a cell before anything can be compared.

How much pattern is enough

Every claim here about a pattern's group is a claim about an infinite pattern. A reader sees a patch. Measuring what a finite window can decide gives a number — about one cell's radius — and two opposite ways of being wrong on the way there.

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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.

The shells of the hexagonal lattice. Every point of the hexagonal lattice within a squared distance of 24, with a circle drawn at each length that occurs. The form is x² + xy + y², and the number of points on each circle is a coefficient of the lattice's theta series: 6 at 1, 0 at 2, 6 at 3, 6 at 4, 0 at 5, 0 at 6, 12 at 7, 0 at 8. The gaps matter as much as the counts — a circle with no points on it is a length the lattice does not have, and which lengths those are is a question in number theory rather than in geometry.

How many vectors of each length

Counting the lattice points at each distance from the origin turns out to be a question about divisors, and the answer explains something a crystallographer meets every day: why a cubic powder pattern has no line at seven.

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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.

Telling two words apart

There are finitely presented groups in which no algorithm can decide whether two products of the generators are the same element. The seventeen are not among them, and the procedure that settles it is short enough to state in a sentence — which then makes it possible to measure how fast each group grows.

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