International Tables for Crystallography


Classification and use of magnetic data
Branton Campbell, J. Manuel Perez-Mato, Václav Petříček, Juan Rodriguez-Carvajal and James R. Hester. International Tables for Crystallography (2026). Vol. G, ch. 3.9 [ doi:10.1107/97809553602060001006 ]

Abstract

In some crystalline materials the magnetic moments associated with certain atoms adopt long-range order. This magnetic ordering is described as a lattice of space-filling unit cells whose contents obey symmetry constraints. The magnetic unit cell does not necessarily match the unit cell, or unit-cell origin, of the nuclear or `parent' lattice. The relationship between the two lattices is summarized by propagation vectors, most often a single vector in reciprocal space describing the translational symmetry of the magnetic lattice expressed relative to the nuclear reciprocal-lattice unit-cell lengths. Magnetic ordering is classed as commensurate when all three components of the propagation vector are the reciprocals of integers; otherwise, the structure is incommensurate. Two complementary approaches to describing magnetic symmetry exist: (a) magnetic space groups or (b) the symmetry modes of the irreproducible representations of the parent space group (`irreps'). The magnetic CIF dictionary provides data names for describing a structure in terms of magnetic space and superspace groups only.


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About International Tables for Crystallography

International Tables for Crystallography is the definitive resource and reference work for crystallography. The multi-volume series comprises articles and tables of data relevant to crystallographic research and to applications of crystallographic methods in all sciences concerned with the structure and properties of materials.