In geometry, a point group in three dimensions is an isometry group in three dimensions that leaves the origin fixed, or correspondingly, an isometry group of a sphere. It is a subgroup of the orthogonal group O(3), the group of all isometries that leave the origin fixed, or correspondingly, the group of orthogonal matrices. O(3) itself is a subgroup of the Euclidean group E(3) of all isometries. Symmetry groups of geometric objects are isometry groups. Accordingly, analysis of isometry groups is analysis of possible symmetries. All isometries of a bounded (finite) 3D object have one or more common fixed points. We follow the usual convention by choosing the origin as one of them. The symmetry group of an object is sometimes also called its full symmetry group, as opposed to its proper symmetry group, the intersection of its full symmetry group with E+(3), which consists of all direct isometries, i.e., isometries preserving orientation. For a bounded object, the proper symmetry group is called its rotation group. It is the intersection of its full symmetry group with SO(3), the full rotation group of the 3D space. The rotation group of a bounded object is equal to its full symmetry group if and only if the object is chiral. The point groups that are generated purely by a finite set of reflection mirror planes passing through the same point are the finite Coxeter groups, represented by Coxeter notation. The point groups in three dimensions are widely used in chemistry, especially to describe the symmetries of a molecule and of molecular orbitals forming covalent bonds, and in this context they are also called molecular point groups.
3D isometries that leave the origin fixed
The symmetry group operations (symmetry operations) are the isometries of three-dimensional space R3 that leave the origin fixed, forming the group O(3). These operations can be categorized as:
The direct (orientation-preserving) symmetry operations, which form the group SO(3): The identity operation, denoted by E or the identity matrix I. Rotation about an axis through the origin by an angle θ. Rotation by θ = 360°/n for any positive integer n is denoted Cn (from the Schoenflies notation for the group Cn that it generates). The identity operation, also written C1, is a special case of the rotation operator. The indirect (orientation-reversing) operations: Inversion, denoted i or Ci, that is, rotation by 180° about a coordinate axis followed by a reflection in the orthogonal coordinate plane. The matrix notation is −I. Reflection in a plane through the origin, denoted σ. Improper rotation, also called rotation-reflection: rotation about an axis by an angle θ, combined with reflection in the plane through the origin perpendicular to the axis. Rotation-reflection by θ = 360°/n for any positive integer n is denoted Sn (from the Schoenflies notation for the group Sn that it generates if n is even). Inversion is a special case of rotation-reflection (i = S2), as is reflection (σ = S1), so these operations are often classified as improper rotations. A circumflex is sometimes added to the symbol to indicate an operator, as in Ĉn and Ŝn.
Conjugacy When comparing the symmetry type of two objects, the origin is chosen for each separately, i.e., they need not have the same center. Moreover, two objects are considered to be of the same symmetry type if their symmetry groups are conjugate subgroups of O(3) (two subgroups H1, H2 of a group G are conjugate, if there exists g ∈ G such that H1 = g−1H2g ). For example, two 3D objects have the same symmetry type:
if both have mirror symmetry, but with respect to a different mirror plane if both have 3-fold rotational symmetry, but with respect to a different axis. In the case of multiple mirror planes and/or axes of rotation, two symmetry groups are of the same symmetry type if and only if there is a rotation mapping the whole structure of the first symmetry group to that of the second. (In fact there will be more than one such rotation, but not an infinite number as when there is only one mirror or axis.) The conjugacy definition would also allow a mirror image of the structure, but this is not needed, the structure itself is achiral. For example, if a symmetry group contains a 3-fold axis of rotation, it contains rotations in two opposite directions. (The structure is chiral for 11 pairs of space groups with a screw axis.)
Infinite isometry groups
There are many infinite isometry groups; for example, the "cyclic group" (meaning that it is generated by one element – not to be confused with a torsion group) generated by a rotation by an irrational number of turns about an axis. We may create non-cyclical abelian groups by adding more rotations around the same axis. The set of points on a circle at rational numbers of degrees around the circle illustrates a point group requiring an infinite number of generators. There are also non-abelian groups generated by rotations around different axes. These are usually (generically) free groups. They will be infinite unless the rotations are specially chosen. All the infinite groups mentioned so far are not closed as topological subgroups of O(3). We now discuss topologically closed subgroups of O(3).
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