Crystallography & Symmetry
patterns derived from their groups
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The theme: Generated, not drawn — page 2

Every pattern on this site is the orbit of a motif under a group, and the group is then rediscovered from the drawing. A picture that was drawn by hand can have symmetries nobody intended.
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. Operations

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.

 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. Operations

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.

 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. The classification

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.

 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. What a lattice forbids

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.

 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. Lattices

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.

 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. Into space

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.

 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 classification

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.

 Neumann's principle for elastic constants in 6/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 6/mmm subtracts from it, and the average over all 24 is 5, 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. What symmetry decides

A character does not know its basis

The number of independent elastic constants a hexagonal crystal has is computed here from integer matrices in a lattice basis, having never chosen a Cartesian frame. That looks wrong the first time: a physical tensor lives in an orthonormal frame and these matrices are not orthogonal.

 The fourteen Bravais lattices. All fourteen lattices: triclinic P, with 2 symmetries; monoclinic P, with 4 symmetries; monoclinic C, with 4 symmetries; orthorhombic P, with 8 symmetries; orthorhombic C, with 8 symmetries; orthorhombic I, with 8 symmetries; orthorhombic F, with 8 symmetries; tetragonal P, with 16 symmetries; tetragonal I, with 16 symmetries; rhombohedral P, with 12 symmetries; hexagonal P, with 24 symmetries; cubic P, with 48 symmetries; cubic I, with 48 symmetries; cubic F, with 48 symmetries. The corner points are the conventional cell; the points in the second colour are the centring translations, drawn at every position inside the cell rather than one per face. The cell shapes are the picture's, chosen so no two systems look alike; only the angles a system is defined by mean anything. Lattices

Twenty-five cells, and fourteen lattices

The usual picture of the fourteen Bravais lattices is a plate of fourteen boxes, which is the answer with the argument removed. The argument is one question asked of twenty-five candidates, and the question has a computable answer.

 The symmetry elements of Ccmm. Space group Ccmm, number 63, projected down c on a C-centred orthorhombic cell. The symmetry elements drawn: 4 2-fold rotation axes, 6 glide planes, 12 2₁ screw axes, 2 mirror planes, 8 inversion centres. 2 kind(s) of element in this group have no line or mark in a projection down c — an axis at an angle to the page, or a plane lying parallel to it — and are not in the picture. Into space

The operations nobody put in

A group is not a list of generators. Compose two of them and something arrives that neither contained — a screw where there were only mirrors, a glide where there was only a mirror and a centring vector — and in three dimensions most of a group's operations get there this way.

 Why seven — all 16 candidates. Every subset of the 4 extras available on a strip, closed under composition and named from the operations that come out. 16 candidates give 7 distinct groups: 9 of them generate operations they were not given and land on a group already listed. The classification

Why sixteen become seven

Four extra operations give sixteen combinations and seven groups. The nine that vanish are not cases anybody forgot — each one comes back from the closure holding something it was never given, and one of them changes the lattice underneath it.

 The chain as a cut through a periodic pattern. A periodic pattern in two dimensions: one atomic surface through each lattice point, drawn as the curve x = n + A·sin(2πy). The physical chain is the cut along the line y = qx with q = 0.211, and the atoms are where that line meets the curves — plotted along the bottom. Every cut meets every curve exactly once, so every cut gives a chain with the same 9 atoms and the same lattice, differently displaced. That is the difference from cut-and-project, where the atomic surfaces are intervals with ends and moving the cut adds and removes points: here the extra coordinate is a phase, and shifting it is a symmetry of the material rather than a different material. Order without repetition

The extra dimension that makes it periodic

A structure with no cell in three dimensions can be a slice through one that has a cell in four. The construction is cut-and-project with continuous atomic surfaces instead of intervals — and that single difference is what separates an incommensurate crystal from a quasicrystal.

 The friezes inside the seventeen. Every plane group contains frieze groups: keep only the operations that map one lattice row onto itself and what is left is a group on a strip, which must be one of the seven. Across all seventeen plane groups and their principal directions, all seven frieze groups appear. The commonest is p2, in 9 of the 32 rows examined. The classification

The friezes inside the seventeen

Take one lattice row of a wallpaper pattern and keep only the symmetries that leave that row where it is. What survives is a frieze group — and which of the seven it turns out to be is a fact about the plane group that its symbol does not state.

 The subgroups of p4m of index 2. p4m has 7 subgroup(s) of index 2 with cyclic quotient. 3 of them keep every translation and lose operations — the lattice is untouched and the pattern loses a symmetry at every point. 4 keep every operation and lose translations, and each is named beside the basis of the sublattice it keeps, written in the parent's own axes. Each subgroup is the kernel of a homomorphism onto a cyclic group, found by enumeration; each name is found by searching changes of basis and origin until the operation sets match exactly. Operations

Two ways down from a group

A pattern can lose a symmetry by giving up an operation or by giving up a translation, and the two are different in kind. Sorting the seventy-four subgroups of index two among the seventeen splits them twenty-nine to forty-five — and a containment test that compares operations modulo one shared lattice can only see the twenty-nine.

 3 lattices. 3 lattices: hexagonal P, with 24 symmetries; rhombohedral P, with 12 symmetries; hexagonal R, with 12 symmetries. The corner points are the conventional cell; the points in the second colour are the centring translations, drawn at every position inside the cell rather than one per face. The cell shapes are the picture's, chosen so no two systems look alike; only the angles a system is defined by mean anything. Lattices

A lattice described on somebody else's axes

R-centring a hexagonal cell does lower its symmetry, from twenty-four to twelve — and the lattice that results is the fourteenth, the rhombohedral one, which already appears on the list under its own axes. It is the only row in the enumeration where losing symmetry and being a duplicate are the same verdict.

 Two-colourings of the seventeen. How many ways each of these 17 plane groups can be two-coloured so that every symmetry either preserves the colours or exchanges them. 74 in all, each one a subgroup of index two enumerated by trying every assignment of colours to a generating set and keeping the assignments that turn out to be consistent. p3 admits none: a homomorphism onto a group of order two has nothing to send a three-fold rotation to but the identity, and once the rotation and its conjugates are killed nothing is left to reverse the colours. pmm admits the most, with 15. Every count is one less than a power of two because the homomorphisms of a group onto the two-element group are the non-zero elements of a vector space over that field. The classification

Two colours, and a symmetry that swaps them

A chessboard and a grid of identical squares have the same group, which is plainly not what anybody sees. Admitting the colour swap as an operation gives a finer classification — and one of the seventeen turns out to admit no two-colouring at all.

 Every vector between every pair of atoms. The Patterson map of a four-atom structure: the transform of the intensities with every phase set to zero, so it is computable from a measurement and nothing else. Its peaks are not atoms but the vectors between them, and the ringed one is the strongest that is not the origin — taken here as an interatomic vector exactly as a crystallographer takes the vector between two heavy atoms. That it really is one of the structure's own vectors is checked rather than assumed: it lands within 0.0031 of a cell of a difference of two positions, and it sits 0.67 of a cell from the origin, well outside the skirt of the tall peak there. A candidate taken too close to the origin is the same peak seen again and the whole method fails quietly. How it is known

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.

 The origins of p2 that change nothing. One cell of p2 with its pattern, and every point marked to which the origin may be moved without a single operation of the group changing its translation part. There are 4 of them per cell, and the count does not change when the search grid is refined, so it is a fact about the group rather than about the grid. Two coordinate lists differing by one of these vectors describe the identical arrangement, which is why no structure's coordinates are ever unique. Operations

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.

 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. Lattices

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.

 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. The classification

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.

 One layer, and the two ways to sit on it. A close-packed layer — large pale discs, each touching six others, which is as tight as one layer of equal spheres can be. Its hollows come in two sets, marked in the two smaller colours, and a second layer must take one set or the other; the two choices are mirror images and equally good. The third layer then faces the same choice again, and this time the two answers are genuinely different: over the first layer, or over the hollows the second did not use. That single decision, repeated, is the whole of close packing — and nothing in the geometry prefers either answer, because both give the same density and the same number of touching neighbours. 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.

 How many close packings there are of each period. Every cyclic sequence over three letters with no two adjacent alike is a close packing, and two sequences describe the same structure when one becomes the other by rotating the cycle, reversing it, or relabelling the three positions. Counting the classes that remain gives 1 of period 2, 1 of period 3, 1 of period 4, 1 of period 5, and 38 altogether up to period 10. Period two is hexagonal close packing and period three is cubic; everything above them is a polytype, equally dense and equally close packed, and silicon carbide has been found in more than two hundred of them. Nothing in the geometry chooses. What chooses is an energy difference of a few thousandths of an electron volt per atom, and this site computes no energies. 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.

 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. Operations

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.

 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.

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