Crystallographic symmetry 2026-11-05
Crystallographic symmetry consists of the spatial transformations that leave an ideal crystal structure unchanged, including the identities of its chemical atoms. A symmetry of the crystal lattice alone need not preserve the atomic basis of a crystal. The full set of crystal-preserving transformations forms a space group; its translational part distinguishes it from a crystallographic point symmetry description.[ref]
Symmetry by L. S. Dent Glasser. Sections 2–3: symmetry operations, crystal classes and periodic arrays
In fractional unit cell coordinates a space group operation has the form . The matrix describes its linear action and its translation. A screw axis combines a rotation with a translation parallel to the axis; a glide plane combines reflection with translation within the plane. For example, a twofold screw can act asApplying it twice gives , a full unit cell translation. Replacing it by a pure twofold rotation would lose this relation between orientation and position.
For ordinary three-dimensional periodic crystals, the possibilities are organized into 32 crystallographic point groups and 230 space groups. These counts concern spatial symmetry without additional magnetic labels. A square outline alone does not establish fourfold symmetry: decorating alternate corners with different atoms can break the rotation. In structure determination, the symmetry therefore constrains both the lattice geometry and which sites can carry equivalent chemical atoms.[ref]
Symmetry by L. S. Dent Glasser. Section 2, Table 1, and section 3: crystal classes and translational symmetry
A Bravais lattice is the translation set generated by primitive lattice translation vectors. Translating by any member of leaves its surroundings equivalent. A crystal structure requires both this lattice and an atomic basis attached to every lattice point. The basis can lower the symmetry of the bare point lattice; a familiar-looking geometrical arrangement of atoms is not necessarily itself a Bravais lattice. For example, the diamond cubic structure is a face-centred cubic lattice with an identical-atom basis at fractional positions and in conventional cubic coordinates. The displacement between those two basis atoms is not itself a lattice translation.
The seven three-dimensional crystal systems are triclinic, monoclinic, orthorhombic, tetragonal, trigonal, hexagonal and cubic; the distinct translation types give 14 Bravais lattices. A conventional cell can contain several lattice points, while a primitive unit cell contains one. Simple cubic primitive lattice translation vectors can be chosen along the cube edges; for face-centred cubic they can be , and . Their primitive volume is , explaining the four lattice points per conventional face-centred cell.
A crystallographic point group comprises the orthogonal parts of the crystal's spatial symmetry operations. It constrains possible rotations, reflections, inversion and their combinations, while forgetting translations. Lattice preservation restricts proper rotational orders in three dimensions to ; a fivefold axis cannot be a symmetry of a periodic three-dimensional lattice. One quick argument restricts a rotation's integral lattice representation through , an integer trace, producing these orders. There are 32 crystallographic point-group types. Examples are the cubic full octahedral group with Hermann–Mauguin symbol , the tetrahedral class with symbol , and the polar tetragonal class with symbol .
The space group retains the full isometry. In Seitz notation acts by , and multiplication isIts translation subgroup is normal and the quotient is the crystallographic point group. A screw axis combines rotation with translation along the axis; for example, applying a screw twice gives one whole lattice translation. A glide plane combines reflection with a translation parallel to the plane; applying the glide twice likewise gives a translation. These operations can preserve the complete crystal without their rotation or reflection alone preserving it.
A symmorphic space group admits an origin and representatives for which the point-group operations have no translation component. A nonsymmorphic space group has essential fractional translations that cannot all be removed by moving the origin. There are 230 three-dimensional space-group types, distinguished more finely than their point groups. These counts refer to ordinary, nonmagnetic periodic space groups; magnetic and aperiodic generalizations are different classifications.[ref]
International Tables for Crystallography, Volume A: Space-group symmetry. 2016 edition, overview and Part 1 introduction to crystallographic and space-group symmetry
For concrete comparisons, a monatomic simple-cubic crystal has space group and point group . Rock salt has a face-centred cubic lattice, a two-species basis and symmorphic space group . Diamond has the same cubic point group and translation-lattice type, but its basis leads to nonsymmorphic . Replacing the two diamond basis sites by distinct species gives the zinc blende structure, exemplified by GaAs, with and point group ; inversion that would interchange the species is no longer a symmetry. The lattice specifies translations, the point group specifies the linear symmetry classes, and the space group specifies their complete spatial implementation. These examples show why none alone uniquely describes an atomic structure.
A screw axis combines rotation about a line with translation parallel to that line. An screw rotates through and advances by of the lattice repeat along the axis; a screw advances by half a repeat after a half-turn. The combined operation, rather than either component separately, must map every atomic species onto equivalent sites.
A glide plane combines reflection in a plane with a fractional translation parallel to it. Reflecting alone need not preserve the crystal. A crystallographic point symmetry is an isometry with a fixed point, such as a rotation, reflection, inversion, or rotoinversion. Point operations have no irreducible translational advance: a screw or a glide with nonzero fractional advance cannot be described merely as a rotation or mirror at a different origin. A crystal's point group records the rotational parts of its space-group operations, whereas the full space group retains their translations.