International
Tables for
Crystallography
Volume G
Definition and exchange of crystallographic data
Edited by S. R. Hall and B. McMahon

International Tables for Crystallography (2006). Vol. G. ch. 3.4, pp. 133-134

Section 3.4.3.1.3. Experimental measurements on the crystal

G. Madariagaa*

aDepartamento de Física de la Materia Condensada, Facultad de Ciencia y Tecnología, Universidad del País Vasco, Apartado 644, 48080 Bilbao, Spain
Correspondence e-mail: gotzon.madariaga@ehu.es

3.4.3.1.3. Experimental measurements on the crystal

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The categories describing measurements on the crystal or crystals used in the experiment are as follows:

EXPTL group
EXPTL_CRYSTAL
EXPTL_CRYSTAL_FACE

Categories marked with ¶ are already defined in the core CIF dictionary.

New data items in these categories are as follows:

(a) EXPTL_CRYSTAL [Scheme scheme10]

(b) EXPTL_CRYSTAL_FACE [Scheme scheme11]

_exptl_crystal_type_of_structure specifies the structure type as cryst (crystalline), mod (modulated) or comp (composite). These are the only three types of structure handled at present by the msCIF dictionary.

The extensions to the EXPTL_CRYSTAL_FACE category permit the indexing of crystal faces using the higher-dimensional Miller indices introduced for aperiodic structures.








































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