Crystallography & Symmetry
patterns derived from their groups
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The theme: The lattice forbids — page 2

Periodicity is a strong constraint. It rules out five-fold rotations, most rotation orders above six, and a great many patterns that look perfectly reasonable until the arithmetic is done.
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. The classification

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.

 Thirteen ways to hold a lattice. Every finite group of integer matrices in two dimensions, up to a change of integer basis: 13 of them. Ten different abstract groups appear, and three of the ten hold a lattice in two inequivalent ways — a mirror along an axis or along a diagonal, and the same for 2mm and for 3m. The enumeration is a search: every subgroup of the two maximal holohedries, merged by conjugacy under integer matrices of determinant ±1, with the answer checked for not depending on how wide the search was. What a lattice forbids

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.

 The most of an icosahedron a crystal can keep. Every subgroup of the sixty rotations of an icosahedron, found by closure, with the crystallographic ones marked — those whose rotation orders are all among the 1, 2, 3, 4 and 6 that a three-dimensional lattice admits. The largest is 23, of order 12, at index 5; everything containing a fivefold axis is refused. So a crystal containing an icosahedral molecule may fix a twelfth of the molecule's own symmetry and no more, and the remaining 5 orientations have to be related by something other than the site's symmetry. What a lattice forbids

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.

 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. Order without repetition

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.

 Why the seventeen is a number at all. The classification is finite because three counts in a row are finite, and the first two are where the work is. Finitely many lattice types, because a lattice's symmetry group is a finite group of integer matrices; finitely many such groups, by Minkowski's lemma and his bound; and finitely many ways to attach translations to each, which is the extension problem. Every step is a count this site makes elsewhere — five, thirteen, seventeen — and this is the reason each of those searches was allowed to stop. What a lattice forbids

Why there is a list at all

Five lattices, seventeen groups, thirty-two classes, two hundred and thirty. Every one of those counts came out of a search that had to know when to stop, and the reason it could stop is a divisibility Minkowski proved in 1887.

 Modulo 3 injective on all thirteen, modulo 2 on 5. Minkowski's lemma says the kernel of reduction modulo an integer of at least three is torsion-free, so a finite group of integer matrices is carried faithfully into a finite group of matrices over ℤ/3 — which is why the classification is finite, before any bound is computed. The middle column checks it on every finite subgroup of GL(2,ℤ) there is: thirteen classes, no collapses. The right column is the case the lemma has to exclude. Modulo 2, minus the identity is the identity, and 8 classes lose operations. What a lattice forbids

Reduction modulo three

A finite group of integer matrices survives being reduced modulo three: no two of its operations collide. That single fact proves the classification finite without computing any bound — and modulo two it is false, refuted by the inversion centre.

 Which Schläfli symbols close. Every {p, q} with p polygons round each face and q faces round each vertex, from three to six of each. A solid exists only when 2p + 2q − pq is positive, which is the same statement as 1/p + 1/q > ½; the five that qualify carry their vertex, edge and face counts, and the three on the diagonal where the expression vanishes are the three regular tilings of the plane. Past them the expression is negative and the answer is the hyperbolic plane, where the list never ends. The five, the three and the infinity are one inequality read at its three signs. What a lattice forbids

Five solids from one inequality

Five families of rotation group in space, five regular solids, three regular tilings of the plane and an endless supply of hyperbolic ones — all of it is 1/p + 1/q compared with a half, read at its three signs.

 Averaging a metric over the group. The 3 pale ellipses are the unit circle carried by each element of a finite group of rational matrices — none of them a rotation, because the group has been skewed out of the orthogonal ones on purpose. Their average is the heavy ellipse, and it is invariant: MᵀAM = A for every element, exactly, in rational arithmetic. So a finite group of matrices is always a group of isometries of some inner product, and every question about how large such a group can be becomes a question about the symmetries of an ellipse. The space of invariant forms here is 1-dimensional, so up to scale the average is the only one. What a lattice forbids

The average that makes it finite

Two arguments every classification leans on are usually assumed rather than made: that a finite group of motions fixes a point, and that a finite group of integer matrices preserves a metric. They are the same trick — average over the group — and the trick fails exactly where it should.

 incommensurate: "dense on a line". The shortest non-zero vector a subgroup contains, as the search widens, against the square lattice drawn flat behind it as a control. For a lattice the answer is constant: the shortest vector is the shortest vector, and looking further finds nothing nearer. For a subgroup that is not a lattice it falls without limit, because the convergents of a continued fraction give integers making the combination arbitrarily small. This one falls from 0.414 to 1.2e-2 over bounds 1 to 64, which is the verdict "dense on a line" arrived at by measurement rather than by reading a definition. Nothing here is decided by asking whether a ratio is rational; the ratio is a float and the question would be undecidable of one. Lattices

Discrete, or dense, and nothing between

Every count in this collection rests on a hypothesis nobody states, because it is built into the word lattice: the translations of a pattern form a discrete subgroup of the plane. Drop it and the counts do not become larger — they stop existing, because the object stops being a lattice. A subgroup of the plane is one of five things, and only two of them are lattices.

 60 vertices, 12 pentagons. A closed net with three edges at every vertex: 60 vertices, 90 edges and 32 faces, of which 12 are pentagons and 20 are hexagons. The pentagons are picked out in the second colour. Their number is not a property of this cage — it is twelve for every closed trivalent net of pentagons and hexagons, at any size, and the hexagon count is free. What a lattice forbids

Twelve pentagons, and no way round them

The crystallographic restriction forbids a five-fold face in a flat repeating net. Curve the net into a closed cage and the same three lines of arithmetic require exactly twelve of them — at any size, with the hexagon count free. What a lattice forbids, closing up compels.

 625 tiles, 32 directions. The subdivision applied 4 times to one right triangle with legs 1 and 2, giving 625 tiles of one shape and size. They point in 32 distinct directions — the tint follows the direction — and the count grows every time the rule is applied, without bound. Order without repetition

The tiling that points every way

A Penrose tiling never repeats and its tiles still point in only ten directions, which is why its diffraction pattern has ten-fold symmetry. One triangle, cut into five copies of itself, breaks that — and the difference between it and a tiling with eight directions is which diagonal of one small rectangle gets drawn.

 66 squares and 106 rhombs. The Ammann–Beenker tiling, built by keeping the points of a four-dimensional lattice whose companion image falls inside an octagon and projecting them into the plane. Every tile has the same edge length; the squares and the forty-five degree rhombs are told apart by their diagonals. Nothing was placed — the faces were found among the projected points. Order without repetition

Eight-fold, with the golden ratio taken out

Every quasicrystal on this site has been built on five: Penrose's rhombs, the Fibonacci chain, the ten-fold pattern Shechtman measured. A method that works only on the golden ratio is a method tuned to its answer — so here is the same construction run on eight, where the irrational is √2 and nothing else changes.

 5 units of 70.53°: 7.36° left. 5 tetrahedral units of face-centred cubic metal, each the mirror image of its neighbour in a {111} plane, arranged about a common ⟨110⟩ edge. The angle between two such planes is arccos(1/3) = 70.53°, computed from the plane normals rather than quoted, and 5 of them come to 352.64°. The shaded sector is what is left over: 7.36°, or 2.04 per cent of a full turn, which must be taken up by strain, by a gap, or by a defect along the axis. What a lattice forbids

Five copies, and the gap they leave

Gold, silver and silicon grow particles with a five-fold axis down the middle, out of a lattice that forbids one. Nothing is violated: five tetrahedral pieces of ordinary face-centred metal, each the mirror image of its neighbour, come to three hundred and fifty-two and a half degrees rather than three hundred and sixty — and the seven degrees left over have to go somewhere.

 orders 5 and 7 reach a site of symmetry 1 and no more. A molecule whose only symmetry is one n-fold axis, and the highest site symmetry it may occupy in any of the 45 space groups this site builds. The site's symmetry has to be a subgroup of the molecule's, so the site's order must divide n and the site group must be cyclic. Orders 1, 2, 3, 4 and 6 reach a site of their own order. Orders 5 and 7 reach one, because no site symmetry in any space group contains an operation of order five or seven — the orders available are 1, 2, 3, 4, 6, computed by asking every operation of every group whether it moves a point. A five-fold molecule keeps its axis; the crystal simply has no use for it. What a lattice forbids

What a molecule gives up to sit in a crystal

A molecule brings its own symmetry. A crystal offers sites with symmetries of their own, and the two have to be compatible — the site's symmetry must be a subgroup of the molecule's. So a molecule may always keep more than its site offers, and a molecule with a five-fold axis may sit only where the crystal offers nothing at all.

 Rotation orders 1, 2, 3, 4, 6 and no others. Every net in this collection, with the orders of the rotations its own symmetry group has, and the degrees of its vertices beside them. The orders are 1, 2, 3, 4, 6 — the crystallographic restriction, arrived at with no length anywhere in the argument: the translations of a net are ℤ² by construction, an automorphism carries translations to translations, so it acts on ℤ² by an integer matrix, and an integer trace in the interval from minus two to two is one of five numbers. The degree column is there because the two are constantly confused: a net may perfectly well have vertices of degree five, and one here does. What a lattice forbids

The restriction, with no lattice assumed

The proof that only two-, three-, four- and six-fold rotations are possible is usually stated about a lattice, and every step of it turns out to need no lengths at all. A periodic graph has the same theorem, proved the same way — and a graph may have a five-fold symmetry the plane cannot receive.

 The invariant degrees exist for every n; the lattice permits five of them. The reflection group with an n-fold rotation has an invariant ring generated in degrees 2 and n, for every n whatever — the dimensions on the right are counted by pairing monomials in complex coordinates, which needs no matrix and therefore no lattice. Five of these groups can be written in integer matrices, and those five are named in the middle column; the rest cannot, because a lattice has no five-fold or seven-fold rotation. The crystallographic restriction is usually a statement about traces of matrices. Here it is the statement that only five of these invariant rings belong to a crystal, and the two arguments have nothing in common but their answer. What a lattice forbids

The degrees that name the restriction

The reflection group with an n-fold rotation has invariants of degrees 2 and n — for every n, with no lattice anywhere in the argument. Which of those groups a crystal may have is then the only question left, and its answer is the crystallographic restriction arriving from a direction nobody points it from.

 11 nets, and one accounting. Every plane net folds onto a torus when its own translations are divided out, and a torus has Euler characteristic zero — so the quotient's vertices, edges and faces satisfy n − e + f = 0 and the number of faces is not something to be counted off a drawing but e − n. Dividing through gives one over the mean face size plus one over the mean degree equal to a half, which is the same relation that forbids a plane tiling by pentagons, reached here with no geometry in it at all. It holds for every net in the table. The classification

Every net folds onto a torus

Divide a plane net by its own translations and the quotient is a finite graph drawn on a doughnut. A doughnut has Euler characteristic zero, so the number of faces is not something to count — it is forced, and with it a relation between how many edges meet at a vertex and how many bound a face.

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

The four plane groups a molecule packs in

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

 The ten plane classes, and the dimensions they permit. Every crystallographic point group of the plane, with one block per irreducible representation and each block as wide as its dimension. Nine of the ten have only one-dimensional representations; 4mm, 3m and 6mm carry a two-dimensional one, drawn in the measured colour. Nothing is wider than two, and the sum of the squares of the widths in each row is the order of that group — the identity that says the row is complete. What symmetry decides

How large a degeneracy may be

Symmetry can force two things to have the same value, and in a crystal it can force three. It can never force five, and the reason is a sum of squares — the same kind of arithmetic that forbids a five-fold axis, arriving at a question about levels rather than about rotations.

 A circuit that closes on the wrong point: (1, 0). A square lattice with one extra half-column, drawn as a graph: the rows above the core have one more site than the rows below, and the core is the site at the end of the extra column. The path is 4 steps east, 4 north, 4 west and 4 south — the same number out as back — and it ends one lattice vector from where it started. Every one of the 12 circuits in the survey that goes round the core fails by that vector, and all 10 that miss it close exactly. Symmetry at work

The circuit that does not close

A defect in a crystal is usually introduced as a picture — an extra half-row of atoms, a wedge taken out. What makes a defect a crystallographic object rather than a drawing is a closure failure: walk a closed circuit through the lattice and come back to the wrong point, by an amount the lattice itself decides.

 3 whole-number solutions: (6, 3), (4, 4), (3, 6). Every pair of whole numbers from three to 12, with the mean face size across and the mean degree down. A square in the first colour is a pair satisfying one over p plus one over q equals a half exactly — the flat case, where a periodic net is possible — and there are 3 of them: 6 and 3, 4 and 4, 3 and 6. The lighter squares above and to the left have a sum greater than a half, which is a closed polyhedron rather than a plane tiling; the ones below and to the right have a sum less than a half and belong to a surface of negative curvature. The plane is the boundary between them and it is thin. The classification

Three answers in whole numbers

One over the face size plus one over the degree equals a half. Ask for whole numbers and there are exactly three answers, which are the three nets everybody has drawn since childhood — and the pairs on either side of them are a closed polyhedron and a plane the plane has no room for.

 square: 3 dislocations, 2 stable. The short lattice vectors of the square lattice, grouped into orbits under its own automorphism group of 8 operations. Two vectors of one orbit are the same defect seen from different directions, so the number of kinds of dislocation is the number of orbits — 3 out to 4 times the shortest squared length. Each orbit has its own colour. Solid arrows are stable: no pair of shorter lattice vectors adds to them with a smaller total of |b|². Dashed ones split, and 1 of the orbits do. Which splits is decided by comparing integers; that the energy goes as |b|² at all is Frank's rule and comes from elasticity, not from here. Symmetry at work

How many dislocations a lattice has

A circuit round a defect comes back to the wrong lattice point, and the amount by which it misses is a lattice vector. That much is quantised. The next question has a number for an answer: how many *different* dislocations are there? Two Burgers vectors related by an operation of the point group are one defect seen twice, so the answer is a count of orbits.

 66 reflections that no rotation reaches. Every reflection inside the limiting sphere of an orthorhombic cell, 7 × 11 × 13 Å at 1.4 ångström, plotted by its distance from the rotation axis against its height along it. The ones marked are those a rotation about that axis can never bring into diffracting position: turning the crystal moves a point on a circle at fixed height, so a point too close to the axis can never acquire the component along the beam that the Ewald condition demands. The blind region is a cusp about the axis, it is 4.3 per cent of the sphere here, and nothing but remounting the crystal removes it. How it is known

What one turn of the crystal reaches

Every reflection inside the limiting sphere is measurable by some orientation. A crystal on a spindle has one axis, and a region around it never reaches the Ewald sphere at all — however patiently the crystal is turned.

 Σ5: three lattices in one picture. Two copies of the square lattice turned by 36.87 degrees against one another — one drawn pale, one drawn in the second colour — with the points they share ringed. The fine dots are the lattice generated by both together, the DSC lattice, which contains each crystal with index 5 exactly as the coincidences sit inside each crystal with index 5. Three lattices nested at the same index, and the middle one is the crystal. Symmetry at work

The dislocations a boundary allows

Two crystals meeting at a coincidence angle share one lattice and generate another. The second is where a boundary's own defects live, its shortest vector is one over the square root of the index, and a dislocation's energy is the square of that.

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