Crystallography & Symmetry
patterns derived from their groups
Concept

Group extension — where it appears

A group built by attaching one group above another, so that the larger has the smaller as a normal subgroup with the stated quotient. Every space group is an extension of a lattice by a point group, and almost everything peculiar about space groups follows from that.

Named by 17 essays across 5 fields — each of them below, with the objects they name alongside it.

The translation of every operation, split in two. Every operation of P2, P2₁, Pm and Pc other than the identity, with its translation split into the intrinsic part — one n-th of the sum of the operation applied to itself n times, which no choice of origin can remove — and the location part, which is only a statement about where the origin was put. 2 of the 4 operations shown have a non-zero intrinsic part, and those are exactly the screws and the glides.

The half of a translation that is not a choice

Every operation's translation splits in two — a part that belongs to the operation and a part that only records where somebody put the origin. Almost everything peculiar about space groups is a consequence of that split, including why there are two hundred and thirty rather than seventy-three.

space-groups · Space groups The space groups in class mm2 (P), counted. Every way of attaching translations to the generators of mm2 (P): 64 assignments close into a group of the right size, 16 survive moving the origin, and 10 survive relabelling the axes — which is the number the International Tables record for this class. the ten primitive orthorhombic groups with a polar axis.

Sixteen candidates, ten groups

One point group, one lattice, and every consistent way of attaching translations to it — enumerated in full. The count comes out at sixteen, and then at ten, and the step between the two numbers is a decision about what "the same group" means rather than an arithmetic fact.

space-groups · Space groups p4g in 4 letters and 8 relations. The presentation of p4g, derived from the group's own operations. The two translations commute; each conjugation relation is read off a column of a matrix; and the point group's relations are corrected by the translation they actually come back as, which is what makes this group an extension rather than a semidirect product. Every relator is evaluated where the group lives and must be the identity, and coset enumeration on the letters alone returns 8, which is the order of the point group.

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.

operations · Presentations 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.

operations · Presentations 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.

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.

restriction · Finiteness p4: the map comes back. p4 written on two bases related by an integer matrix of determinant one, and about two origins. The two descriptions share no coordinate; they are the same group. The matrix and the origin shift were then recovered from the two operation sets alone — which is what Bieberbach's theorem promises, carried out as a search over the integer matrices and the origins the lattice permits, and checked by applying what was found.

The same group means the same pattern

Seventeen patterns is not the same statement as seventeen groups. Two patterns that look nothing alike could in principle have symmetry groups that are abstractly the same, and then the classification would be a classification of drawings. Bieberbach's theorem says they cannot — and the affine map that proves it can be recovered from the two operation sets alone.

restriction · Finiteness 18 extension classes, 17 groups. Each of the thirteen arithmetic classes with the number of ways translations may be attached to it — its cohomology — the shape of that group, and how many distinct plane groups the classes come to once the changes of basis that are mere relabellings are quotiented out. The two columns differ in exactly one row, 2mmp, where four extension classes are three groups because two of them are the same group with the axes swapped. No lattice is drawn anywhere in this computation.

Seventeen, without a picture

Every other count of the plane groups has a plane in it — a pattern generated, a domain folded, an orbifold's curvature spent. The same seventeen come out of pure algebra: attach translations to a point group, keep the assignments that close, throw away the ones that differ only by where the origin was put, and add up over the thirteen arithmetic classes.

classification · Cohomology 21 superspace groups in (2+1) dimensions, from 31 names. The whole count, in the order it is built. Thirteen arithmetic classes of the plane; six of them admit an incommensurate wavevector; those six give ten sign assignments; each assignment contributes the plane cohomology times the internal cohomology, which is thirty-one names; and the names are merged by the changes of basis that are relabellings — a change of the plane basis, which moves the sign assignment and the internal cocycle with it, and the choice of q against −q. The last row is what the count would be if the two factors were quotiented separately, which over-counts because the merge is not independent of the internal part.

Superspace groups in the plane

A modulated crystal has no space group, and in a space of one more dimension it has one. Counting them in the plane is the seventeen's own extension arithmetic with a third coordinate on which the point group acts by a sign — and the sign has to be plus or minus exactly, which kills the three-fold, four-fold and six-fold classes before a single extension is counted.

aperiodic · Modulation Three conditions, and a near-miss for each. Zassenhaus's characterisation asks a group for a normal subgroup that is free abelian of finite rank, of finite index, and maximal among the group's abelian subgroups. Four groups against those three clauses. The free group on two letters has no non-trivial abelian normal subgroup at all; the discrete Heisenberg group has one that is free abelian of rank two and maximal abelian, and its index is infinite; ℤ² × ℤ/2 has a free abelian normal subgroup of index two, and the maximal one has torsion in it. Each fails a different clause, which is what shows no clause is redundant. The infinite dihedral group passes and is crystallographic in one dimension.

Which groups a crystal could have

Bieberbach's theorem is a statement about a group acting: discrete, no point far from an orbit. Zassenhaus turned it round into a statement a group can satisfy on its own — a maximal abelian normal subgroup, free of finite rank, of finite index — and each of those three clauses is kept out of redundancy by a group that fails it and nothing else.

restriction · Finiteness Two, seventeen, two hundred and thirty, and then. The number of arithmetic crystal classes and the number of crystallographic groups in each of the first six dimensions, with the second divided by the first. The classes multiply by between five and fourteen a dimension; the groups multiply by much more, and the quotient — how many groups an average class carries — goes 1.00, 1.31, 3.15, 6.74, 36.5 and 339. The last column says what is derived on this page and what is quoted: the plane in full, six of the seventy-three classes in space, and nothing at all above three dimensions, where the counts come from machine enumerations of the 1970s onwards.

Finitely many is not few

Bieberbach's third theorem says each dimension holds finitely many crystallographic groups and gives no idea how many. The counts are 2, 17, 230, 4783, 222018 and 28927922, and dividing them by the number of arithmetic classes says which of the classification's three steps supplies the explosion — the step that attaches translations, not the one that finds the matrix groups.

restriction · Finiteness How the space groups are spread over their classes. For each number of groups, how many arithmetic classes carry exactly that many space-group types, in space and in the plane, every count derived from the classes' cohomology and the normaliser's action on it. In the plane ten of the thirteen classes carry one group. In space twelve of the seventy-three carry one, thirty-five carry two and fifteen carry four, so the typical class carries two; the long tail is the orthorhombic and tetragonal classes with eight, ten and sixteen.

Two hundred and nineteen over seventy-three

The space groups average three to an arithmetic class, and an average of three could be a few classes carrying dozens or every class carrying a handful. Derived class by class from the cohomology and its normaliser, the answer is the second: twelve classes carry one group, the median carries two, and the largest carries sixteen. Sixty-one of the seventy-three admit a non-symmorphic group, and the step that merges relabellings, which the plane barely uses, removes more than a quarter of the list.

restriction · Finiteness One lattice, two copies of pm. pm on a lattice doubled across its mirrors. The mirrors of the parent are every vertical line; a copy of pm on the doubled lattice has mirrors every other line, and there are two ways to choose which — the solid set or the dashed set. Both are copies of pm with the same lattice and the same point group, and no translation of the parent carries one onto the other, because the translation that would is exactly the one the doubling removed. So a count of invariant lattices is not a count of subgroups, and the gap is visible in the smallest case there is.

A lattice is not a subgroup

Every count of copies so far has counted lattices, and the International Tables count subgroups. One invariant lattice can carry several copies of a group that nothing in the parent carries onto one another — pm's doubled lattice carries two, with its mirrors on the even lines or the odd ones — and how many is a cohomology computation, a first where the classification of the seventeen used a second.

space-groups · Isomorphic subgroups One group without an axis, and as many as the order with one. For a rotation of each order that an integer matrix can have in a small dimension, the number of space groups its arithmetic class admits — computed from the cohomology rather than enumerated. A rotation acting on the smallest lattice that will hold it fixes no direction and admits exactly one group: the symmorphic one, with no screw. Add a direction it leaves alone and the count becomes the order of the rotation, and the extra groups are its screws. The four-fold with an axis gives four, which are P4, P4₁, P4₂ and P4₃; the five-fold with an axis gives five, in five dimensions, where no published table exists to check it against.

The screw a dimension does not have

The extension count is a machine that runs in any dimension, and the seventeen were the case where every step could be checked against a list arrived at four other ways. Run on a cyclic point group it has a closed form two lines long — and it says a five-fold screw axis does not exist in four dimensions, which is a prediction rather than a check.

classification · Cohomology Tight where there is an axis and vacuous where there is not. The order of a point group annihilates its cohomology, so every intrinsic translation is a multiple of one over that order — the bound every account of the subject quotes. What occurs is one over the exponent of the cohomology, which divides the bound. For a rotation with a direction it fixes the two agree exactly: a four-fold screw does need quarters and a six-fold sixths. For a rotation acting with no fixed direction the exponent is one — the cohomology is trivial and no fraction occurs at all — so the bound is slack by the whole order. The same bound is sharp and useless in the same table.

The denominator a group actually needs

The order of a point group annihilates its cohomology, so every intrinsic translation is a multiple of one over that order — a bound every account of the subject quotes. What occurs is one over the exponent, which divides it. The same bound turns out to be attained exactly and to be slack by its whole size, in two rows of one table, and what decides which is whether the rotation fixes a direction.

classification · Cohomology Seventy-three classes, seventy-three Smith forms. Every arithmetic crystal class of space, grouped by lattice system, with the cohomology group read off the Smith normal form of the integer conditions its Cayley graph imposes, shaded by the group's exponent. Twelve classes have nothing; fifty-three have exponent two, among them the orthorhombic P holohedry with ℤ2 to the sixth; three have exponent three, three have exponent four, and two — the hexagonal 6 and 622 on the primitive lattice — have exponent six. Nothing larger occurs.

Seventy-three Smith forms

The cohomology group that counts a crystal class's intrinsic translations has a closed form only when the point group is cyclic. For every other class it is still one integer matrix away: the conditions the Cayley graph's cycles impose, reduced to Smith normal form, leave the group on the diagonal. Run on all seventy-three classes of space, the diagonal says the largest exponent is six, that a group of order forty-eight needs nothing finer than halves, and that no class needs a denominator its operations do not already have.

classification · Cohomology I222 and I2₁2₁2₁: the same axes, apart. The two-fold rotation axes of the two space groups on the body-centred class of 222, drawn in one conventional cell seen down its third edge: axes along that edge as diamonds, axes along the first edge as solid lines and along the second as dashed lines, with the height of each written beside it. Both groups have pure two-fold rotation axes in all three directions. In the symmorphic group some axes of different directions cross, at the origin among other places; in the other none does, because the heights of the axes in each direction are a quarter out of step with the positions of the axes in the others.

Two groups no single operation reveals

A space group is non-symmorphic when no choice of origin removes all of its translations at once, and every textbook example has a screw or a glide to show for it. Two of the two hundred and thirty do not need one. Every operation of I2₁2₁2₁, taken on its own, is also a plain rotation about some axis; so is every operation of I2₁3. What makes them non-symmorphic is that their rotation axes never meet — and no diffraction extinction can tell them from I222 and I23.

classification · Cohomology The seventy-five rod groups by what fixes the axis and what moves along it. Every rod group sorted by its kernel, the plane point group of operations that leave every point of the axis in place, and by the group of the line it maps onto: translations only, or translations and reversals. Each chip counts the rods with that kernel, that line group and a given number of steps to the repeat. 29 never reverse the axis and 46 do, seventy-five in all, derived from the kernel and the rule that joins it to the line and agreeing cell by cell with the rods counted class by class.

Seventy-five is twenty-nine and forty-six

The eighty layer groups came out as a plane group with a sign on each operation. The seventy-five rod groups have an account of the same shape turned round: a finite group of the plane across the rod, which is what leaves the axis alone, extended by a group of the line, which is what moves along it. Twenty-nine rods never turn their axis over and forty-six do, and the count comes out cell by cell as the rods counted class by class. The screw of a rod is the turn its smallest step gives the plane, and the kernel decides its subscript.

classification · Subperiodic

Named alongside it

The objects these essays reach for when they reach for this one.

Arithmetic crystal classCocycleClassificationCoboundaryScrew axisIntrinsic translationOrigin shiftPoint groupEnumerationGlide planeSymmorphicAbelianisation

All concepts