International
Tables for Crystallography Volume A1 Symmetry relations between space groups Edited by Hans Wondratschek and Ulrich Müller © International Union of Crystallography 2006 |
International Tables for Crystallography (2006). Vol. A1. ch. 1.5, pp. 29-40
https://doi.org/10.1107/97809553602060000541 Chapter 1.5. The mathematical background of the subgroup tables
a
Abteilung Reine Mathematik, Universität Ulm, D-89069 Ulm, Germany This chapter gives a brief introduction to the mathematics involved in the determination of the subgroups of space groups. The algebraic concepts of vector spaces, the affine space and the affine group are defined and discussed. A section on groups with special emphasis on actions of groups on sets, the Sylow theorems and the isomorphism theorems follows. After the definition of space groups, their maximal subgroups are considered and the theorem of Hermann is derived. It is shown that a maximal subgroup of a space group has a finite index and is a space group again. From the proof that three-dimensional space groups are soluble groups, it follows that the indices of their maximal subgroups are prime powers. Special considerations are devoted to the subgroups of index 2 and 3. Furthermore, a maximal subgroup is an isomorphic subgroup if its index is larger than 4. In addition, more special quantitative results on the numbers and indices of maximal subgroups of space groups are derived. The abstract definitions and theorems are illustrated by several examples and applications. Keywords: Abelian groups; CARAT; Euclidean affine spaces; Euclidean groups; Euclidean metrics; Euclidean vector spaces; Hermann's theorem; Lagrange's theorem; Sylow's theorems; affine groups; affine mappings; affine spaces; automorphism; characteristic subgroups; congruence; factor groups; faithful actions; isomorphism; generators; groups; homomorphism; klassengleiche subgroups; cosets; isomorphic groups; mappings; normalizers; space groups; isomorphism theorems; translation subgroups; maximal subgroups; translationengleiche subgroups; vector spaces; orbits; alternating groups; symmorphic space groups. |
This chapter gives a brief introduction to the mathematics involved in the determination of the subgroups of space groups. To achieve this we have to detach ourselves from the geometric point of view in crystallography and introduce more abstract algebraic structures, such as coordinates, which are well known in crystallography and permit the formalization of symmetry operations, and also the abstract notion of a group, which allows us to apply general theorems to the concrete situation of (three-dimensional) space groups.
This algebraic point of view has the following advantages:
In Section 1.5.2, a basis is laid down which gives the reader an understanding of the algebraic point of view of the crystal space (or point space) and special mappings of this space onto itself. The set of these mappings is an example of a group. For a closer connection to crystallography, the reader may consult Section 8.1.1
of IT A (2005
) or the book by Hahn & Wondratschek (1994
).
Section 1.5.3 gives an introduction to abstract groups and states the important theorems of group theory that will be applied in Section 1.5.4
to the most important groups in crystallography, the space groups. In particular, Section 1.5.4
treats maximal subgroups of space groups which have a special structure by the theorem of Hermann. In Section 1.5.5
, we come back to abstract group theory stating general facts about maximal subgroups of groups. These general theorems allow us to calculate the possible indices of maximal subgroups of three-dimensional space groups in Section 1.5.6
. The last section, Section 1.5.7
, deals with the very subtle question of when these maximal subgroups of a space group are isomorphic to this space group.
The aim of this section is to give a mathematical model for the `point space' (also known in crystallography as `direct space' or `crystal space') which the positions of atoms in crystals (the so-called `points') occupy. This allows us in particular to describe the symmetry groups of crystals and to develop a formalism for calculating with these groups which has the advantage that it works in arbitrary dimensions. Such higher-dimensional spaces up to dimension 6 are used, e.g., for the description of quasicrystals and incommensurate phases. For example, the more than 29 000 000 crystallographic groups up to dimension 6 can be parameterized, constructed and identified using the computer package [CARAT]: Crystallographic AlgoRithms And Tables, available from http://wwwb.math.rwth-aachen.de/carat/index.html .
As well as the points in point space, there are other objects, called `vectors'. The vector that connects the point P to the point Q is usually denoted by . Vectors are usually visualized by arrows, where parallel arrows of the same length represent the same vector.
Whereas the sum of two points P and Q is not defined, one can add vectors. The sum of two vectors
and
is simply the sum of the two arrows. Similarly, multiplication of a vector
by a real number can be defined.
All the points in point space are equally good, but among the vectors one can be distinguished, the null vector . It is characterized by the property that
for all vectors
.
Although the notion of a vector seems to be more complicated than that of a point, we introduce vector spaces before giving a mathematical model for the point space, the so-called affine space, which can be viewed as a certain subset of a higher-dimensional vector space, where the addition of a point and a vector makes sense.
We shall now exploit the advantage of being independent of the dimensionality. The following definitions are independent of the dimension by replacing the specific dimensions 2 for the plane and 3 for the space by an unspecified integer number . Although we cannot visualize four- or higher-dimensional objects, we can describe them in such a way that we are able to calculate with such objects and derive their properties.
Algebraically, an n-dimensional (real) vector v can be represented by a column of n real numbers. The n-dimensional real vector space is then
(In crystallography n is normally 3.) The entries
are called the coefficients of the vector
. On
one can naturally define an addition, where the coefficients of the sum of two vectors are the corresponding sums of the coefficients of the vectors. To multiply a vector by a real number, one just multiplies all its coefficients by this number. The null vector
can be distinguished, since
for all
.
The identification of a concrete vector space with the vector space
can be done by choosing a basis of
. A basis of
is any tuple of n vectors
such that every vector of
can be written uniquely as a linear combination of the basis vectors:
. Whereas a vector space has many different bases, the number n of vectors of a basis is uniquely determined and is called the dimension of
. The isomorphism (see Section 1.5.3.4
for a definition of isomorphism)
between
and
maps the vector
to its coefficient column
with respect to the chosen basis
. The mapping
respects addition of vectors and multiplication of vectors with real numbers. Moreover,
is a bijective mapping, which means that for any coefficient column
there is a unique vector
with
. Therefore one can perform all calculations using the coefficient columns.
An important concept in mathematics is the automorphism group of an object. In general, if one has an object (here the vector space ) together with a structure (here the addition of vectors and the multiplication of vectors with real numbers), its automorphism group is the set of all one-to-one mappings of the object onto itself that preserve the structure.
A bijective mapping of the vector space
into itself satisfying
for all
and
for all real numbers
and all vectors
is called a linear mapping and the set of all these linear mappings is the linear group of
. To know the image of
under a linear mapping
it suffices to know the images of the basis vectors
under
, since
. Writing the coefficient columns of the images of the basis vectors as columns of a matrix
[i.e.
,
], then the coefficient column of
with respect to the chosen basis
is just
. Note that the matrix of a linear mapping depends on the basis
of
. The matrix that corresponds to the composition of two linear mappings is the product of the two corresponding matrices. We have thus seen that the linear group of a vector space
of dimension n is isomorphic to the group of all invertible
matrices via the isomorphism
that associates to a linear mapping its corresponding matrix (with respect to the basis
). This means that one can perform all calculations with linear mappings using matrix calculations.
In crystallography, the translation-vector space has an additional structure: one can measure lengths and angles between vectors. An n-dimensional real vector space with such an additional structure is called a Euclidean vector space, . Its automorphism group is the set of all (bijective) linear mappings of
onto itself that preserve lengths and angles and is called the orthogonal group
of
. If one chooses the basis
to be the unit vectors (which are orthogonal vectors of length 1), then the isomorphism
above maps the orthogonal group
onto the set of all
matrices A with
, the
unit matrix. T denotes the transposition operator, which maps columns to rows and rows to columns.
In this section we build up a model for the `point space'. Let us first assume . Then the affine space
may be imagined as an infinite sheet of paper parallel, let us say, to the (
,
) plane and cutting the
axis at
in crystallographic notation. The points of
have coordinates
which are the coefficients of the vector from the origin to the point.
This observation is generalized by the following:
If then the vector
is defined as the difference
(computed in the vector space
). The set of all
with
forms an n-dimensional vector space which is called the underlying vector space
. Omitting the last coefficient, we can identify
with
. As the coordinates already indicate, the sets
as well as
can be viewed as subsets of
. Computed in
, the sum of two elements in
is again in
, since the last coefficient of the sum is
and the sum of a point
and a vector
is again a point in
(since the last coordinate is
), but the sum of two points does not make sense.
The affine group of geometry is the set of all mappings of the point space which fulfil the conditions
In the mathematical model, the affine group is the automorphism group of the affine space and can be viewed as the set of all linear mappings of that preserve
.
Definition 1.5.2.4.1.
The affine group is the subset of the set of all linear mappings
with
. The elements of
are called affine mappings.
Since is linear, it holds that
Hence an affine mapping also maps
into itself.
Since the first n basis vectors of the chosen basis lie in and the last one in
, it is clear that with respect to this basis the affine mappings correspond to matrices of the form
The linear mapping induced by
on
which is represented by the matrix
will be referred to as the linear part
of
. The image
of a point P with coordinates
can easily be found as
If one has a way to measure lengths and angles (i.e. a Euclidean metric) on the underlying vector space , one can compute the distance between P and Q
as the length of the vector
and the angle determined by P, Q and R
with vertex Q is obtained from
. In this case,
is the Euclidean affine space,
.
An affine mapping of the Euclidean affine space is called an isometry if its linear part is an orthogonal mapping of the Euclidean space . The set of all isometries in
is called the Euclidean group and denoted by
. Hence
is the set of all distance-preserving mappings of
onto itself. The isometries are the affine mappings with matrices of the form
where the linear part W belongs to the orthogonal group of
.
Special isometries are the translations, the isometries where the linear part is , with matrix
The group of all translations in
is the translation subgroup of
and is denoted by
. Note that composition of two translations means addition of the translation vectors and
is isomorphic to the translation vector space
.
The affine group is only one example of the more general concept of a group. The following axiomatic definition sometimes makes it easier to examine general properties of groups.
Definition 1.5.3.1.1.
A group is a set
with a mapping
, called the composition law or multiplication of
, satisfying the following three axioms:
Normally the symbol · is omitted, hence the product is just written as
and the set
is called a group.
One should note that in particular property (i), the associative law, of a group is something very natural if one thinks of group elements as mappings. Clearly the composition of mappings is associative. In general, one can think of groups as groups of mappings as explained in Section 1.5.3.2.
A subset of elements of a group which themselves form a group is called a subgroup:
The affine group is an example of a group where is given by the composition of mappings. The unit element
is the identity mapping given by the matrix
which also represents the translation by the vector
. The composition of two affine mappings is again an affine mapping and the inverse of an affine mapping
has matrix
Since the inverse of an isometry and the composition of two isometries are again isometries, the set of isometries
is a subgroup of the affine group
. The translation subgroup
is a subgroup of
.
Any vector space is a group with the usual vector addition as composition law. Therefore
is also a group.
Remarks
Example 1.5.3.1.3
A well known group is the addition group of integers where · is normally denoted by + and the unit element
is 0. The group
is generated by
. Other generating sets are for example
or
. Taking two integers
which are divisible by some fixed integer
, then the sum
and the addition inverses
and
are again divisible by p. Hence the set
of all integers divisible by p is a subgroup of
. It is generated by
.
Most of the groups in crystallography, for example
,
,
, have infinite order.
Groups that are generated by one element are called cyclic. The cyclic group of order n is called . (We prefer to use three letters to denote the mathematical names of frequently occurring groups, since the more common symbol
could possibly cause confusion with the Schoenflies symbol
.)
The group is not generated by a finite set.
These two groups and
have the property that for all elements
and
in the group it holds that
. Hence these two groups are Abelian in the sense of the following:
The affine group is defined via its action on the affine space
. In general, the greatest significance of groups is that they act on sets.
Definition 1.5.3.2.1.
Let be a group. A non-empty set M is called a (left)
-set if there is a mapping
satisfying the following conditions:
If M is a -set, one also says that
acts on M.
Example 1.5.3.2.2
Definition 1.5.3.2.3.
Let be a group and M a
-set. If
, then the set
is called the orbit of m under
.
The -set M is called transitive if
for any
consists of a single orbit under
.
If then the stabilizer of m in
is
.
The kernel of the action of
on M is the intersection of the stabilizers of all elements in M,
M is called a faithful
-set and the action of
on M is also called faithful if the kernel of the action is trivial,
.
Remarks
Example 1.5.3.2.4 (Example 1.5.3.2.2 cont.)
We now introduce some terminology for groups which is nicely formulated using -sets.
Definition 1.5.3.2.5.
The orbit of under the action of the subgroup
is the right coset
(cf. IT A, Section 8.1.5
). Analogously one defines a left coset as
and denotes the set of left cosets by
.
If the number of left cosets (which is always equal to the number of right cosets) of in
is finite, then this number is called the index
of
in
. If this number is infinite, one says that the index of
in
is infinite.
Example 1.5.3.2.6.
is a coset of
in
, namely
If one thinks of
as an infinite sheet of paper and puts uncountably many such sheets of paper (one for each real number) one onto the other, one gets the whole
-space
.
Remark
. The set of left cosets is a left
-set with the operation
for all
. The kernel of the action is the intersection of all subgroups of
that are conjugate to
and is called the core of
:
.
We now assume that is finite. Let
be a subgroup of
. Then the set
is partitioned into left cosets of
,
, where
is the index of
in
. Since the orders of the left cosets of
are all equal to the order of
, one gets
Theorem 1.5.3.2.7.
(Theorem of Lagrange.) Let be a subgroup of the finite group
. Then
In particular, the order of any subgroup of
and also the index of any subgroup of
are divisors of the group order
.
The -set
is only a special case of a
-set. It is a transitive
-set. If
is a transitive
-set, then the mapping
,
is a bijection (in fact an isomorphism of
-sets in the sense of Definition 1.5.3.4.1
below). Therefore the number of elements of M, which is the length of the orbit of m under
, equals the index of the stabilizer of m in
, whence one gets the following generalization of the theorem of Lagrange:
Up to now, we have only considered the action of upon
via multiplication. There is another natural action of
on itself via conjugation:
defined by
for all group elements
and elements m in the
-set
. The stabilizer of m is called the centralizer of m in
,
If
is a set of group elements, then the centralizer of M is the intersection of the centralizers of the elements in M:
Definition 1.5.3.2.9.
also acts on the set
of all subgroups of
by conjugation,
. The stabilizer of an element
is called the normalizer of
and denoted by
.
is called a normal subgroup of
(denoted as
) if
.
Remarks
Normal subgroups play an important role in the investigation of groups. If is a normal subgroup, then the left coset
equals the right coset
for all
, because
.
The most important property of normal subgroups is that the set of left cosets of in
forms a group, called the factor group
, as follows: The set of all products of elements of two left cosets of
again forms a left coset of
. Let
. Then
This defines a natural product on the set of left cosets of
in
which turns this set into a group. The unit element is
.
Hence the philosophy of normal subgroups is that they cut the group into pieces, where the two pieces and
are again groups.
Example 1.5.3.2.10.
The group is Abelian. For any number
, the set
is a subgroup of
. Hence
is a normal subgroup of
. The factor group
inherits the multiplication from the multiplication in
, since
for all
. If p is a prime number, then all elements
in
have a multiplicative inverse, and therefore
is a field, the field with p elements.
Proof
. Let ,
. Then
, where
, since
is a subgroup of
, and
, since
is a normal subgroup of
. QED
A nice application of the notion of -sets are the three theorems of Sylow. By Theorem 1.5.3.2.7
, the order of any subgroup
of a group
divides the order of
. But conversely, given a divisor d of
, one cannot predict the existence of a subgroup
of
with
. If
is a prime power that divides
, then the following theorem says that such a subgroup exists.
Theorem 1.5.3.3.1. (Sylow)
Let be a finite group and p be a prime such that
divides the order of
. Then
possesses m subgroups of order
, where
satisfies
.
Theorem 1.5.3.3.2. (Sylow)
If for some prime p not dividing s, then all subgroups of order
of
are conjugate in
. Such a subgroup
of order
is called a Sylow p-subgroup.
Combining these two theorems with Theorem 1.5.3.2.8, one gets Sylow's third theorem:
Proofs of the three theorems above can be found in Ledermann (1976), pp. 158–164.
If one wants to compare objects such as groups or -sets, to be able to say when they should be considered as equal, the concept of isomorphisms should be used:
Definition 1.5.3.4.1.
Let and
be groups and M and N be
-sets.
Example 1.5.3.4.2.
In Example 1.5.3.1.3, the group homomorphism
defined by
is a group isomorphism (from the group
onto its subgroup
).
Example 1.5.3.4.3.
For any group element , conjugation by
defines an automorphism of
. In particular, if
is a subgroup of
, then
and its conjugate subgroup
are isomorphic.
Philosophy
: If and
are isomorphic groups, then all group-theoretical properties of
and
are the same. The calculations in
can be translated by the isomorphism to calculations in
. Sometimes it is easier to calculate in one group than in the other and translate the result back via the inverse of the isomorphism. For example, the isomorphism between
and
in Section 1.5.2
is an isomorphism of groups. It even respects scalar multiplication with real numbers, so in fact it is an isomorphism of vector spaces. While the composition of translations is more concrete and easier to imagine, the calculation of the resulting vector is much easier in
. The concept of isomorphism says that you can translate to the more convenient group for your calculations and translate back afterwards without losing anything.
Note that a homomorphism is injective, i.e. is an isomorphism onto its image, if and only if its kernel is trivial .
Example 1.5.3.4.4
The mapping is a homomorphism of the group
into
. The kernel of this homomorphism is
and the image of the mapping is the translation subgroup
of
. Hence the groups
and
are isomorphic.
The affine group acts (as group of group automorphisms) on the normal subgroup via conjugation:
. We have seen already in Example 1.5.3.2.4
(b) that it also acts (as a group of linear mappings) on
. The mapping
is an isomorphism of
-sets.
[cf. Ledermann (1976), pp. 68–73.]
Remark
. If is a homomorphism
and
is a normal subgroup of
, then the pre-image
is a normal subgroup of
. In particular, it holds that
.
Hence the factor group is a well defined group. The following theorem says that this group is isomorphic to the image
of
:
Theorem 1.5.3.5.1. (First isomorphism theorem.)
Let be a homomorphism of groups. Then
is an isomorphism between the factor group
and the image group of
, which is a subgroup of
.
Theorem 1.5.3.5.2. (Third isomorphism theorem.)
Let be a normal subgroup of the group
and
be an arbitrary subgroup of
. Then
is a normal subgroup of
and
(For the definition of the group
see Proposition 1.5.3.2.11
.)
Remarks
Let us consider the tetrahedral group, Schoenflies symbol , which is defined as the symmetry group of a tetrahedron. It permutes the four apices
of the tetrahedron and hence every element of
defines a bijection of
onto itself. The only element that fixes all the apices is
. Therefore the set V is a faithful
-set. Let us calculate the order of
. Since there are elements in
that map the first apex
onto each one of the other apices, V is a transitive
-set. Let
be the stabilizer of
. By Theorem 1.5.3.2.8
,
. The group
is generated by the threefold rotation
around the `diagonal' of the tetrahedron through
and the reflection
at the symmetry plane of the tetrahedron which contains the edge
. In particular,
acts transitively on the set
. The stabilizer of
in
is the cyclic group
generated by
. (The Schoenflies notation for
is
and the Hermann–Mauguin symbol is m.) Therefore
and
. In fact, we have seen that
is isomorphic to the group of all bijections of V onto itself, which is the symmetric group
of degree 4 and the group
is the symmetric group on
. The Schoenflies notation for
is
and its Hermann–Mauguin symbol is
.
In general, let be a natural number. Then the group of all bijective mappings of the set
onto itself is called the symmetric group of degree n and denoted by
The alternating group is the normal subgroup
consisting of all even permutations of
.
Let us construct a normal subgroup of . The tetrahedral group contains three twofold rotations
around the three axes of the tetrahedron through the midpoints of opposite edges. Since
permutes these three axes and hence conjugates the three rotations into each other, the group
generated by these three rotations is a normal subgroup of
. Since these three rotations commute with each other, the group
is Abelian. Now
and hence
(in Schoenflies notation)
(Hermann–Mauguin symbol) is of order 4. There are three normal subgroups of order 2 in
, namely
for
. The factor group
is again of order 2. Since all groups of order 2 are cyclic,
. The set
is the set of all products of elements from the two normal subgroups
and
, hence
is isomorphic to the direct product
in the sense of the following definition.
Definition 1.5.3.6.1.
[cf. Ledermann (1976), Section 13.] Let
and
be two groups. Then the direct product
is the group
with multiplication
.
Let us return to the example above. The centralizer of one of the three rotations, say of , is of index 3 in
and hence a Sylow 2-subgroup of
with order 8. Following Schoenflies, we will denote this group by
(another Schoenflies symbol for this group is
and its Hermann–Mauguin symbol is
).
The group above is contained in
. It is its own centralizer in
:
. Therefore the factor group
acts faithfully (and transitively) on the set
. The stabilizer of
is the subgroup
constructed above. Using this, one easily sees that
.
Another normal subgroup in is the set of all rotations in
. This group contains the normal subgroup
above of index 3 and is of index 2 in
(and hence has order 12). It is isomorphic to
, the alternating group of degree 4, and has Schoenflies symbol T and Hermann–Mauguin symbol
.
In IT A (2005), Section 8.1.6
, space groups are introduced as symmetry groups of crystal patterns.
Definition 1.5.4.1.1
The definition introduced space groups in the way they occur in crystallography: The group of symmetries of an ideal crystal stabilizes the crystal structure. This definition is not very helpful in analysing the structure of space groups. If is a space group, then the translation subgroup
is a normal subgroup of
. It is even a characteristic subgroup of
, hence fixed under every automorphism of
. By Definition 1.5.4.1.1
, its image under the inverse
of the mapping
in Example 1.5.3.4.4
defined by
in
is a full lattice
. Since
is an isomorphism from
onto
, the translation subgroup of
is isomorphic to the lattice
. In particular, one has
and the subgroup
, formed by the pth powers of elements in
, is mapped onto
. Lattices are well understood. Although they are infinite, they have a simple structure, so they can be examined algorithmically. Since they lie in a vector space, one can apply linear algebra to them.
Now we want to look at how this lattice fits into the space group
. The affine group
acts on
by conjugation as well as on
via its linear part. Similarly the space group
acts on
by conjugation: For
and
, one gets
, where
is the linear part of
. Therefore the kernel of this action is on the one hand the centralizer of
in
, on the other hand, since
contains a basis of
, it is equal to the kernel of the mapping
, which is
, hence
Hence only the linear part
of
acts faithfully on
by conjugation and linearly on
. This factor group
is a finite group. Let us summarize this:
Definition 1.5.4.2.1.
A subgroup of a group
is called maximal if
and for all subgroups
with
it holds that either
or
.
The translation subgroup of the space group
plays a very important role if one wants to analyse the space group
. Let
be a subgroup of
. Then
has either fewer translations (
) or the order of the linear part of
, the index of
in
, gets smaller (
), or both happen.
Definition 1.5.4.2.2.
Let be a subgroup of the space group
and
.
Remark
. The third isomorphism theorem, Theorem 1.5.3.5.2, implies that if
is a k-subgroup, then
. Hence
is a k-subgroup if and only if
.
Let be a maximal subgroup of
. Then we have the following preliminary situation:
Since and
, one has by Proposition 1.5.3.2.11
that
. Hence the maximality of
implies that
or
. If
then
, hence
is a t-subgroup. If
, then by the third isomorphism theorem, Theorem 1.5.3.5.2
,
, hence
is a k-subgroup. This is given by the following theorem:
Theorem 1.5.4.2.3. (Hermann)
Let be a maximal subgroup of the space group
. Then
is either a k-subgroup or a t-subgroup.
The above picture looks as follows in the two cases:
Let be a t-subgroup of
. Then
and
is a subgroup
of
. On the other hand, any subgroup
of
defines a unique t-subgroup
of
with
and
, namely
. Hence the t-subgroups of
are in bijection to the subgroups of
, which is a finite group according to the remarks below Definition 1.5.4.1.1
. For future reference, we note this in the following corollary:
Corollary 1.5.4.2.4.
The t-subgroups of the space group are in bijection with the subgroups of the finite group
.
In the case , which is the most important case in crystallography, the finite groups
are isomorphic to subgroups of either
(Hermann–Mauguin symbol
) or
(
). Here
denotes the direct product (cf. Definition 1.5.3.6.1
),
the cyclic group of order 2, and
and
the symmetric groups of degree 3 or 4, respectively (cf. Section 1.5.3.6
). Hence the maximal subgroups
of
that are t-subgroups can be read off from the subgroups of the two groups above.
An algorithm for calculating the maximal t-subgroups of which applies to all three-dimensional space groups is explained in Section 1.5.5
.
The more difficult task is the determination of the maximal k-subgroups.
Lemma 1.5.4.2.5.
Let be a maximal k-subgroup of the space group
. Then
is a normal subgroup of
. Hence
is an
-invariant lattice.
Proof
. , so every element
in
can be written as
where
and
. Therefore one obtains for
since
is Abelian. Since
and
is normal in
, one has
. But
is a product of elements in
and therefore lies in the subgroup
, hence
. QED
The candidates for translation subgroups of maximal k-subgroups
of
can be found by linear-algebra algorithms using the philosophy explained at the beginning of this section:
acts on
by conjugation and this action is isomorphic to the action of the linear part
of
on the lattice
via the isomorphism
. Normal subgroups of
contained in
are mapped onto
-invariant sublattices of
. An example for such a normal subgroup is the group
formed by the pth powers of elements of
for any natural number
. One has
.
If is a maximal k-subgroup of
, then
is a normal subgroup of
that is maximal in
, which means that
is a maximal
-invariant sublattice of
. Hence it contains
for some prime number p. One may view
as a finite
-module and find all candidates for such normal subgroups as full pre-images of maximal
-submodules of
. This gives an algorithm for calculating these normal subgroups, which is implemented in the package [CARAT].
The group is an Abelian group, with the additional property that for all
one has
. Such a group is called an elementary Abelian p-group.
From the reasoning above we find the following lemma.
Lemma 1.5.4.2.6.
Let be a maximal k-subgroup of the space group
. Then
is an elementary Abelian p-group for some prime p. The order of
is
with
.
Corollary 1.5.4.2.7. Maximal subgroups of space groups are again space groups and of finite index in the supergroup.
Hence the first step is the determination of subgroups of that are maximal in
and normal in
, and is solved by linear-algebra algorithms. These subgroups are the candidates for the translation subgroups
for maximal k-subgroups
. But even if one knows the isomorphism type of
, the group
does not in general determine
. Given such a normal subgroup
that is contained in
, one now has to find all maximal k-subgroups
with
and
. It might happen that there is no such group
. This case does not occur if
is a symmorphic space group in the sense of the following definition:
Definition 1.5.4.2.8.
A space group is called symmorphic if there is a subgroup
such that
and
. The subgroup
is called a complement of the translation subgroup
.
Note that the group in the definition is isomorphic to
and hence a finite group.
If is symmorphic and
is a complement of
, then one may take
.
This shows the following:
Lemma 1.5.4.2.9.
Let be a symmorphic space group with translation subgroup
and
an
-invariant subgroup of
(i.e.
). Then there is at least one k-subgroup
with translation subgroup
.
In any case, the maximal k-subgroups, , of
satisfy
To find these maximal subgroups, , one first chooses such a subgroup
. It then suffices to compute in the finite group
. If there is a complement
of
in
, then every element
may be written uniquely as
with
,
. In particular, any other complement
of
in
is of the form
. One computes
. Since
is a subgroup of
, it holds that
. Moreover, every mapping
with this property defines some maximal subgroup
as above. Since
and
are finite, it is a finite problem to find all such mappings.
If there is no such complement , this means that there is no (maximal) k-subgroup
of
with
.
To determine the maximal t-subgroups of a space group , essentially one has to calculate the maximal subgroups of the finite group
. There are fast algorithms to calculate these maximal subgroups if this finite group is soluble (see Definition 1.5.5.2.1
), which is the case for three-dimensional space groups. To explain this method and obtain theoretical consequences for the index of maximal subgroups in soluble space groups, we consider abstract groups again in this section.
For an arbitrary group , one has a fast method of checking whether a given subgroup
of finite index
is maximal by inspection of the
-set
of left cosets of
in
. Assume that
and let
with
,
and
with
,
. Then the set
may be written as
Then
permutes the lines of the rectangle above: For all
and all
, the left coset
is equal to some
for an
. Hence the jth line is mapped onto the set
Hence the considerations above have proven the following lemma.
Lemma 1.5.5.1.2.
Let be a subgroup of the group
. Then
is a maximal subgroup if and only if the
-set
is primitive.
The advantage of this point of view is that the groups having a faithful, primitive, finite
-set have a special structure. It will turn out that this structure is very similar to the structure of space groups.
If X is a -set and
is a normal subgroup of
, then
acts on the set of
-orbits on X, hence
is a congruence on X. If X is a primitive
-set, then this congruence is trivial, hence
or
for all
. This means that
either acts trivially or transitively on X.
One obtains the following:
Theorem 1.5.5.1.3. [Theorem of Galois (ca 1830).]
Let be a finite group and let X be a faithful, primitive
-set. Assume that
is an Abelian normal subgroup. Then
Proof
. Let be an Abelian normal subgroup. Then
acts faithfully and transitively on X. To establish a bijection between the sets
and X, choose
and define
. Since
is transitive,
is surjective. To show the injectivity of
, let
with
. Then
, hence
. But then
acts trivially on X, because if
then the transitivity of
implies that there is an
with
. Then
, since
is Abelian. Since X is a faithful
-set, this implies
and therefore
. This proves
. Since this equality holds for all nontrivial Abelian normal subgroups of
, statement (a) follows. If p is some prime dividing
, then the Sylow p-subgroup of
is normal in
, since
is Abelian. Therefore it is also a characteristic subgroup of
and hence a normal subgroup in
(see the remarks below Definition 1.5.3.5.3
). Since
is a minimal normal subgroup of
, this implies that
is equal to its Sylow p-subgroup. Therefore, the order of
is a prime power
for some prime p and
. Similarly, the set
is a normal subgroup of
properly contained in
. Therefore
and
is elementary Abelian. This establishes (b).
To see that (c) holds, let . Choose
. Then
. Since
acts transitively, there is an
such that
. Hence
. As above, let
be any element of X. Then there is an element
with
. Hence
. Since z was arbitrary and X is faithful, this implies that
. Therefore
. Since
is Abelian, one has
, hence
. To see that
is unique, let
be another normal subgroup of
. Since
is a minimal normal subgroup, one has
, and therefore for
,
:
. Hence
centralizes
,
, which is a contradiction. QED
Hence the groups that satisfy the hypotheses of the theorem of Galois are certain subgroups of an affine group
over a finite field
. This affine group is defined in a way similar to the affine group
over the real numbers where one has to replace the real numbers by this finite field. Then
is the translation subgroup of
isomorphic to the n-dimensional vector space
over
. The set X is the corresponding affine space
. The factor group
is isomorphic to a subgroup of the linear group of
that does not leave invariant any non-trivial subspace of
.
Definition 1.5.5.2.1.
Let be a group. The derived series of
is the series
defined via
,
. The group
is called the derived subgroup of
. The group
is called soluble if
for some
.
Remarks
Example 1.5.5.2.2
The derived series of is:
(or in Hermann–Mauguin notation
) and that of
is
(Hermann–Mauguin notation:
).
Hence these two groups are soluble. (For an explanation of the groups that occur here and later, see Section 1.5.3.6.)
Now let be a three-dimensional space group. Then
is an Abelian normal subgroup, hence
is soluble. The factor group
is isomorphic to a subgroup of either
or
and therefore also soluble. Using the remark above, one deduces that all three-dimensional space groups are soluble.
Now let be a soluble group and
a maximal subgroup of finite index in
. Then the set of left cosets
is a primitive finite
-set. Let
be the kernel of the action of
on X. Then the factor group
acts faithfully on X. In particular,
is a finite group and X is a primitive, faithful
-set. Since
is soluble, the factor group
is also a soluble group. Let
be the derived series of
with
. Then
is an Abelian normal subgroup of
. The theorem of Galois (Theorem 1.5.5.1.3
) states that
is an elementary Abelian p-group for some prime p and
for some
. Since
, the order of X is the index
of
in
. Therefore one gets the following theorem:
Theorem 1.5.5.3.1.
If is a maximal subgroup of finite index in the soluble group
, then its index
is a prime power.
In the proof of Theorem 1.5.5.1.3, we have established a bijection between
and the
-set X, which is now
. Taking the full pre-image
of
in
, then one has
and
. Hence we have seen the first part of the following theorem:
Theorem 1.5.5.3.2.
Let be a maximal subgroup of the soluble group
. Then the factor group
acts primitively and faithfully on
, and there is a normal subgroup
with
and
. Moreover, if
is another subgroup of
, with
and
, then
is conjugate to
.
Example 1.5.5.3.3
is the tetrahedral group from Section 1.5.3.2
and
is the stabilizer of one of the four apices in the tetrahedron. Then
and
is a faithful
-set which can be identified with the set of apices of the tetrahedron. The normal subgroup
is the normal subgroup
of Section 1.5.3.2
.
Now let be as above, and take
a Sylow 2-subgroup of
. Then
is the normal subgroup
from Section 1.5.3.2
and
.
These observations result in an algorithm for computing maximal subgroups of soluble groups :
|
This section gives estimates for the number of maximal subgroups of a given index in space groups.
The first very easy but useful remark applies to general groups :
Remark
. Let be a maximal subgroup of
of finite index
. Then
. Hence the maximality of
implies that either
and
is a normal subgroup of
or
and
has i maximal subgroups that are conjugate to
.
The smallest possible index of a proper subgroup is 2. It is well known and easy to see that subgroups of index 2 are normal subgroups:
Proof
. Choose an element ,
. Then
. Hence
and therefore
. Since this is also true if
, the proposition follows. QED
Let be a subgroup of a group
of index 2. Then
is a normal subgroup and the factor group
is a group of order 2. Since groups of order 2 are Abelian, it follows that the derived subgroup
of
(cf. Definition 1.5.5.2.1
) (which is the smallest normal subgroup of
such that the factor group is Abelian) is contained in
. Hence all maximal subgroups of index 2 in
contain
. If one defines
, then
is an elementary Abelian 2-group and hence a vector space over the field with two elements. The maximal subgroups of
are the maximal subspaces of this vector space, hence their number is
, where
.
This shows the following:
Dealing with subgroups of index 3, one has the following:
Proposition 1.5.6.1.3.
Let be a subgroup of the group
with
. Then
is either a normal subgroup of
or
and there are three subgroups of
conjugate to
.
Proof
. is isomorphic to a subgroup of
that acts primitively on
. Hence either
and
is a normal subgroup of
or
,
and there are three subgroups of
conjugate to
. QED
We now come to space groups. By Lemma l.5.5.2.3, all three-dimensional space groups are soluble. Theorem 1.5.5.3.1 says that the index of a maximal subgroup of a soluble group is a prime power (or infinite). Since the index of a maximal subgroup of a space group is always finite (see Corollary 1.5.4.2.7
), we get:
Corollary 1.5.6.2.1.
Let be a three-dimensional space group and
a maximal subgroup. Then
is a prime power.
Let be a three-dimensional space group and
its point group. It is well known that the order of
is of the form
with
or
and
. By Corollary 1.5.4.2.4
, the t-subgroups of
are in one-to-one correspondence with the subgroups of
. Let us look at the t-subgroups of
of index 3. It is clear that
has no subgroup of index 3 if
, since the index of a subgroup divides the order of the finite group
by the theorem of Lagrange. If
, then any subgroup
of
of index 3 has order
and hence is a Sylow 2-subgroup of
. Therefore there is such a subgroup
of index 3 in
by the first theorem of Sylow, Theorem 1.5.3.3.1
. By the second theorem of Sylow, Theorem 1.5.3.3.2
, all these Sylow 2-subgroups of
are conjugate in
. Therefore, by Proposition 1.5.6.1.3
, the number of these groups is either 1 or 3:
Corollary 1.5.6.2.2.
Let be a three-dimensional space group.
If the order of the point group of is not divisible by 3 then
has no t-subgroups of index 3.
If 3 is a factor of the order of the point group of , then
has either one t-subgroup of index 3 (which is then normal in
) or three conjugate t-subgroups of index 3.
In this section, we want to comment on the very subtle question of deciding whether two space groups and
are isomorphic.
This problem can be treated in several stages:
Let and
be space groups. Since the translation subgroups
are characteristic subgroups of
(the maximal Abelian normal subgroup of finite index), each isomorphism
induces isomorphisms of the corresponding translation subgroups
(by restriction) as well as of the point groups
It is convenient to view
as a lattice on which the point group
acts as group of linear mappings (cf. the start of Section 1.5.4
). Then the isomorphism
is an isomorphism of
-sets, where
acts on
via conjugation and on
via
Since
and
centralizes itself, this action is well defined, i.e. independent of the choice of the coset representative
.
The following theorem will show that the isomorphism of sufficiently large factor groups of and
implies a `near' isomorphism of the space groups themselves. To give a precise formulation we need one further definition.
Definition 1.5.7.1.1.
For define
which is the set of all rational numbers for which the denominator is prime to d. For the space group
let
be the group
, where
i.e. one allows denominators that are prime to d in the translation subgroup.
One has the following:
Theorem 1.5.7.1.2.
Let and
be two space groups with point groups of order
. Let
denote the set of normal subgroups of
having finite index in
. Then the following three conditions are equivalent:
For a proof of this theorem, see Finken et al. (1980).
Remark
. If are three- or four-dimensional space groups, the isomorphism in (ii) already implies the isomorphism of
and
, but there are counterexamples for dimension 5.
Corollary 1.5.7.2.1.
Let be a three-dimensional space group with translation subgroup
and p be a prime not dividing the order of the point group
. Let
be a subgroup of
of index
for some
. Then
Proof :
Theorem 1.5.7.2.2.
Let be a three-dimensional space group and
be a maximal subgroup of
of index
. Then
Proof
. Since is soluble, the index
is a prime power (see Theorem 1.5.5.3.1
). If p is not a factor of
, the statement follows from Corollary 1.5.7.2.1
. Hence we only have to consider the cases
,
and
,
. Since 9 is not a factor of the order of any crystallographic point group in dimension 3, assertion (a) follows if the index of
is divisible by 9. If
is a maximal t-subgroup, then
is a primitive
-set for the point group
of
. Since the point groups
of dimension 3 have no primitive
-sets of order divisible by 8, assertion (a) also follows if the index of
is divisible by 8.
For all three-dimensional space groups , the module
[where
is identified with the corresponding lattice
in
as in Section 1.5.4
] is not simple as a module for the point group
. [It suffices to check this property for the two maximal point groups
(
) and
.] This means that
is not a maximal
-invariant sublattice of
. Since the translation subgroup
of a maximal k-subgroup
of index equal to a power of 2 in
is a maximal
-invariant subgroup of
that contains
, one now finds that
has no maximal k-subgroup of index 8.
Now assume that . By Corollary 1.5.7.2.1
, one only needs to deal with groups
such that the order of the point group
is divisible by 3.
is isomorphic to a subgroup of
or
. If
is a subgroup of
, then
is simple and
is of index 27 in
[with
]. It turns out that
is isomorphic to
in these cases. If
does not contain a subgroup isomorphic to
, then the maximality of
implies that
is of index 3 in
. Hence
in this case. QED
This interesting fact explains why there are no maximal subgroups of index 8 in a three-dimensional space group. If there is a maximal subgroup of a three-dimensional space group
of index 9, then the order of the point group of
is not divisible by three and the subgroup
is a k-subgroup and isomorphic to
.
In particular, there are no maximal subgroups of index 9 for trigonal, hexagonal or cubic space groups, whereas there are such subgroups of tetragonal space groups.
References
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