Crystallography & Symmetry
patterns derived from their groups
Series

Screws and glides — the series

11 essays on one idea, from the one that introduces it to the one that assumes the rest.
  1. The 4₁ screw axis. 1 of the eleven screw axes a lattice permits, each drawn as the helix it is: 4₁. A turn of 2π/n followed by an advance of m/n of the repeat, so that n turns land exactly m cells along. 0 of those drawn are its own mirror image; the rest come in left- and right-handed pairs.

    Turning and climbing at once

    A rotation has a fixed point and a screw has none. That sounds like a small difference and it is the reason a space group is not a point group with extra letters, the reason two hundred and thirty is not seventy-three, and the reason a helix can be a crystal.

    part 1 · space-groups
  2. The eleven screw axes, enumerated. An n-fold axis admits a screw for every m from 1 to n − 1, so the orders a lattice permits — 2, 3, 4, 6 — give 11 screws in all. Each row shows the fraction of a cell one turn advances, plotted between zero and one. 3 of them are their own mirror image, which happens exactly when m is half of n; the others pair off into left- and right-handed twins.

    Eleven ways to turn while climbing

    Five rotation orders survive the crystallographic restriction, and each of them admits a screw for every whole number of cells its turns can amount to. That is a sum with four terms, and it is why there are eleven screw axes rather than some other number.

    part 2 · space-groups
  3. 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.

    part 3 · space-groups
  4. 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.

    part 4 · space-groups
  5. 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.

    part 5 · space-groups
  6. 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.

    part 6 · space-groups
  7. How many reflection operations a plane of each lattice can carry. Every mirror of each of the fourteen Bravais lattices' holohedries, sorted by how many classes of lattice vector lie in it modulo the conventional cell's own translations — which is how many reflection operations any plane of that orientation can carry in any space group on that lattice. Primitive lattices carry one on every plane. Centred ones carry two on the planes their centring vectors lie in: one plane of the C-centred orthorhombic lattice, the diagonal planes of the body-centred tetragonal and cubic ones, and every mirror plane of the face-centred lattices. The rhombohedral lattice, on the hexagonal axes the Tables use, carries three on each of its three mirror planes. None carries four.

    Three on a plane, and never four

    A reflection plane in a space group carries one operation for each class of lattice vector lying in it, and a face-centred lattice has planes holding two independent centring vectors — enough for four. None of those planes is ever a mirror. The fourteen lattices decide the question without the two hundred and thirty: one, two or three operations on a plane, and never four — with the three on every mirror plane of the rhombohedral lattice, where the Tables' own hexagonal axes put them and the letters have no name for them.

    part 7 · space-groups
  8. Two hundred and twelve of the 219 are made of their own operations. The 219 affine space-group types divided by which of their own operations generate them, lattice translations included. 110 are generated both by their screws and glides alone and by their rotations, mirrors and inversions alone; 67 by their screws and glides only; 29 by their point operations only; 6 only by the two kinds together; and 7 by nothing they contain — P1, P2, Pm, Pmm2, P4, P3, P6 — which need a translation given outright.

    Seven space groups cannot make their own translations

    Every space group contains a lattice of translations, and for all but seven of the 219 types those translations are products of the group's other operations. A screw done twice climbs its axis and a glide done twice slides along its plane, so the non-symmorphic operations make lattices by themselves. The seven that cannot are exactly the seven plane groups with no glide, repeated along a line they all fix, and the reason is a difference between a glide line and a glide plane.

    part 8 · space-groups
  9. How few of their own operations the space groups need. The 212 space-group types that their own rotations, screws, mirrors, glides and inversions generate, by the fewest of those operations that suffice: 64 need 2, 93 need 3, 46 need 4, 8 need 5, 1 need 6. For 198 the number equals a lower bound read off the group's largest elementary abelian quotient; for the other 14 a finite quotient proves that one more is needed, and a set of that size is found.

    Two operations make rock salt's group, and Pmmm needs six

    Every space group that its own rotations, screws, mirrors, glides and inversions can build is built by a handful of them, and how small a handful is now known for all 212. A quotient of each group says how many it cannot do without, a search finds that many for 198, and for the other fourteen a finite quotient proves that one more is needed. Rock salt's group needs two operations, Pmmm six, and P312 needs four where its abelian quotient allows two.

    part 9 · space-groups
  10. Which two kinds of operation make each of the 64 two-generator space groups. For each of the fifteen pairs of kinds of operation, rotation, screw, mirror, glide and rotoinversion (the inversion included), the number of the 64 space-group types generated by two of their own operations that some pair of those kinds generates. Every one of the 960 cases is decided: by a generating pair found, by the pair's linear parts failing to generate the point group, or by a proof in a finite quotient of the group. A screw and a glide make 32 types; two mirrors and a rotation with a mirror make none.

    Two mirrors never make a crystal

    Sixty-four space groups are generated by two of their own operations. Which two kinds can do it is a finite question, and it has been settled for all sixty-four and all fifteen pairs of kinds. A screw and a glide make thirty-two of them. Two mirrors make none, and neither does a rotation with a mirror, for reasons that need no computation: two operations that undo themselves generate a dihedral group, and an axis and a plane always share a point or a direction. Two plain rotations make six groups, every one of them cubic and without a mirror.

    part 10 · space-groups
  11. Which three kinds of operation make each of the 93 three-generator space groups. For each of the 35 triples of kinds of operation (rotation, screw, mirror, glide, rotoinversion with the inversion), how many of the 93 space-group types that need three of their own operations some triple of those kinds generates. Of the 3255 cases 978 are generating triples found, 2275 are refuted (by the point group or in a finite quotient) and 2 remain undecided. Three mirrors make none; a screw and two glides make the most, 53.

    Three mirrors never make a crystal either

    Ninety-three space groups need three of their own operations to generate them, and which three kinds can do it is a finite question with 3,255 cases. All but two are now decided. Three mirrors make none of the ninety-three, as a theorem about reflection groups requires. A rotation with two mirrors makes exactly three, all cubic. Three plain rotations make thirteen, every one without a mirror. One group can be made thirty ways and three can be made only one.

    part 11 · space-groups

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