Crystallography & Symmetry
patterns derived from their groups
Series

Cohomology — the series

6 essays on one idea, from the one that introduces it to the one that assumes the rest.
  1. 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.

    part 1 · classification
  2. 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.

    part 2 · classification
  3. 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.

    part 3 · classification
  4. 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.

    part 4 · classification
  5. 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.

    part 5 · classification
  6. Two hundred and thirty groups on a hundred and twenty-two diffraction symbols. Every space group placed in a column for its diffraction symbol — Bravais lattice, Laue group and systematic absences — with the columns grouped by lattice. There are 122 symbols. 50 of them name one group; 44 are shared by two, 23 by three, 2 by four and 3 by five.

    Every ambiguity in a diffraction pattern, sorted by its cause

    A diffraction pattern shows a lattice, the symmetry of its intensities and the reflections that are missing, and the 230 space groups show 122 different combinations of the three. Fifty of those name a single group. For the rest, each pair of groups that share one can be sorted by why they do, and there are five reasons. Four of them are ambiguities some further measurement resolves. The fifth, two groups with the same operations in the same places except for where their axes cross, happens exactly twice, and nothing but a solved structure decides it.

    part 6 · classification

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