Crystallography & Symmetry
patterns derived from their groups
Concept

Glide plane — where it appears

A reflection combined with a translation along the plane, which is a symmetry although neither half of it is. Its slide must double to a lattice vector, which leaves three candidates in any plane and a fourth where centring has already halved a diagonal.

Named by 15 essays across 3 fields — each of them below, with the objects they name alongside it.

P2₁/c, in the two diagrams the Tables print. Space group P2₁/c, number 14, projected down c on a primitive monoclinic cell. The symmetry elements drawn: 2 2₁ screw axes, 2 glide planes, 4 inversion centres. 4 general positions, the orbit of one point, each labelled with its height along c and marked with a comma where the operation that produced it reversed handedness.

The step a flat surface has no room for

Seventeen becomes two hundred and thirty, and the factor of thirteen is not a matter of having more directions to work in. It comes from an operation the plane cannot hold — a translation that no choice of origin will remove.

space-groups · Space groups What pg scatters. The diffraction pattern computed from the atom positions alone. Where a glide plane is present, alternate reflections along a row cancel exactly — and those missing spots are how the glide is identified in an experiment, since the glide itself is never seen.

Systematic absences

The most informative part of a diffraction pattern is the part that is not there. A glide plane cancels alternate reflections along a row, exactly, and those missing spots are how a symmetry nobody can see is identified.

diffraction · Diffraction 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 The h0l layer of P2₁/c. The h0l reflections of P2₁/c out to 4 in each index, with each spot decided by summing the structure factor over the group's operations: 44 survive and 36 vanish identically, whatever the atoms are. The pattern of holes is the condition h0l: l even, read back off the spots rather than imposed on them.

The reflections that are not there

A screw axis and a glide plane leave no mark on the intensity of any reflection. What they do is delete some, exactly, for every possible arrangement of atoms — and the pattern of deletions is computed here from the sum a crystallographer writes down, rather than read from a table.

diffraction · Diffraction 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.

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.

space-groups · Screws and glides 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.

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.

space-groups · Screws and glides P2₁/c under every cell choice. One group, described in each of the 6 bases that keep its cell the shape its system requires, with the symbol derived from the operations each time. The distinct symbols are P2₁/c, P2₁/a, P2₁/n — 3 names for one group. Nothing about the crystal has changed: the basis changes all have determinant ±1, so the lattice is untouched, and the census of rotations, screws, mirrors and glides is identical in every row, since conjugation cannot turn one kind into another. What changes is which lattice vector a glide's translation is half of, and the glide letter names exactly that.

One group, three symbols

P2₁/c, P2₁/a and P2₁/n are the same space group written on three choices of axes, and the literature contains all three as though they were different. Deriving a symbol from a group's own operations shows why — and found an entry on this site that had been carried under another setting's name for two phases.

space-groups · Settings 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.

space-groups · Screws and glides P2₁/c from 27 marks. The marks of P2₁/c's plan, counted by kind, and what they rebuild to. Each mark is reduced to what a reader can see and handed to a closure with the matrices withheld: an axis gives its direction, its position and how far one turn advances along it; a plane gives its normal, its position and its slide. The lattice supplies the candidate matrices, the closure supplies the rest, and what comes back is the group — 4 operations against 4, with nothing missing and nothing extra.

The plan contains the group

A space-group diagram has always been treated here as a picture of the group. It is more than that: hand back the marks alone — no matrices, no operations, not even the centring — and the group comes out exactly, forty-five times out of forty-five.

space-groups · Space groups Ten ways for space to be flat. The thirteen groups, with each mirror-image pair counted once, because a shape and its mirror image are the same shape. 3 of the ten arrive that way — the three-fold, four-fold and six-fold screws, which are the enantiomorphic pairs this collection already counts among the two hundred and thirty. Six of the ten are orientable and four are one-sided.

Ten ways for space to be flat

Thirteen of the two hundred and thirty space groups hold no point still, and folding space along one of them gives a shape with no curvature anywhere. There are ten such shapes, not thirteen, and the difference is the same eleven pairs that separate 230 from 219.

space-groups · Flat space -2 0 -3 is forbidden and is reached 64 ways. A layer of the reciprocal lattice of Cc: pale spots are reflections the group extinguishes, solid ones are allowed. The path shows a detour — the beam diffracts once at -3 -3 -3 and again at 1 3 0, and the two together send it in exactly the direction a single reflection at -2 0 -3 would. That reflection is forbidden, so intensity arrives where the symmetry said none could. There are 64 such routes to this one spot inside this window alone.

The absence that fills itself in

A systematic absence is the strongest evidence this subject has: a whole zone of reflections cancelling exactly, for reasons of symmetry rather than of arithmetic accident. The exactness belongs to a model — that the beam scatters once. A beam that has already been diffracted can be diffracted again, and the two events together land where the group said nothing could.

diffraction · Diffraction pgg at (1/2, 0): the operators multiply up to a sign. Every product of two Bloch operators of the little group of (1/2, 0) in pgg, against the operator of the product. They agree up to a scalar, and the scalar is +1 or −1: 4 of the 16 products come back with a minus sign. No rephasing removes them, and the search that says so tries every assignment of twelfth roots of unity to the operators. A representation that multiplies only up to this sign cannot be one-dimensional, because scalars commute and these operators do not. Each entry is an exponent modulo twelve, so the table is exact.

A glide sticks two levels together

The translation attached to a glide moves no wavevector at all. It comes back as a phase factor, and at the edge of the zone the factor is minus one — after which the operators of the little group no longer multiply the way the group does, and no rephasing repairs it.

space-groups · K symmetry Two dimensions to be ambiguous in, and one. Why a plane can carry two operations and a line cannot, side by side. Two reflections sharing a plane differ by a translation lying in that plane, and their slides are vectors in the plane — a two-dimensional space, in which a centring vector need not be a multiple of the slide. So the two slides can be genuinely different glides, b against c, and in 1992 the International Tables invented the letter e for the case where neither has a claim. Two rotations sharing an axis differ by a translation along that axis, because anything across it would move the line; their intrinsic parts are vectors along the line, a one-dimensional space in which every lattice vector is a whole multiple of the shortest. So the two differ by a whole number of repeats and are the same screw. The plane has one dimension of freedom left over and the line has none.

A line carries one screw

A plane can hold two glide operations at once, and in 1992 the International Tables invented a letter for the case where neither has a claim. The same question put to an axis has the opposite answer: across 3,388 axes, not one line carries two — and the reason is that a slide has two dimensions to be ambiguous in and an intrinsic translation has one.

space-groups · Screws and glides 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

Named alongside it

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

Screw axisCentringIntrinsic translationSpace groupArithmetic crystal classEnumerationGroup extensionHermann–Mauguin notationInternational tablesStructure factorSymmetry elementSystematic absence

All concepts