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Description of symmetry
Madariaga, G., International Tables for Crystallography (2006). Vol. G, Section 3.4.4.2, p. [ doi:10.1107/97809553602060000736 ]
In the particular case of K 2 SeO 4, the superspace group is (de Wolff et al., 1981) or (Janssen et al., 2004). This information would appear in a CIF as shown in Example 3.4.4.3 . Example 3.4.4.3. Symmetry description ...

Description of the structure
Madariaga, G., International Tables for Crystallography (2006). Vol. G, Section 3.4.4.3, p. [ doi:10.1107/97809553602060000736 ]
structure is then expressed as shown in Example 3.4.4.4 . Example 3.4.4.4. Atomic displacements as translations and rigid rotations. Alternatively, equation (3.4.4.3) can be expressed as a Fourier series ...

Description of reciprocal space
Madariaga, G., International Tables for Crystallography (2006). Vol. G, Section 3.4.4.1, p. [ doi:10.1107/97809553602060000736 ]
but highly intuitive, choice). The remaining d vectors with are the wave vectors of the modulation [ in equation (3.4.4.1)]. In a composite structure, the (3 + d)-dimensional reciprocal basis of the subsystem is determined by a (3 + d ...

Block pointers
Madariaga, G., International Tables for Crystallography (2006). Vol. G, Section 3.4.4.4, p. [ doi:10.1107/97809553602060000736 ]
to be used with particular care in msCIFs. Therefore, the msCIF dictionary gives additional guidelines for naming the data blocks, as the aim (as in pdCIF) is to define unique names. Example 3.4.4.5 shows how the structure of (LaS) 1.14 NbS 2 can ...

Use of the msCIF dictionary
Madariaga, G., International Tables for Crystallography (2006). Vol. G, Section 3.4.4, p. [ doi:10.1107/97809553602060000736 ]
. Example 3.4.4.4. Atomic displacements as translations and rigid rotations. Alternatively, equation (3.4.4.3) can be expressed as a Fourier series with real amplitudes. This form is also covered by the msCIF dictionary. Note ...

Other information
Madariaga, G., International Tables for Crystallography (2006). Vol. G, Section 3.4.4.5, p. [ doi:10.1107/97809553602060000736 ]
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