4.3. Modulated and composite structures dictionary (msCIF)
G. Madariaga
Abstract
This chapter presents the contents of the modulated and composite structures CIF dictionary (msCIF).
The data names defined in the msCIF dictionary complement those of the coreCIF dictionary and should be used to describe the crystal structures of incommensurately modulated and incommensurate composite materials.
Version 1.0.1 of the msCIF dictionary contains definitions for 302 data items grouped in 37 categories (including 19 categories that do not appear in the coreCIF dictionary).
References
Axe, J. D. (1980).
Debye--Waller factors for incommensurate structures.
Phys. Rev. B, 21, 4181-4190.
Baudour, J. L. & Sanquer, M. (1983).
Structural phase transition in polyphenyls. VIII. The modulated
structure of phase III of biphenyl (T
![[proportional to]](../graphics/prop_rmgif.gif)
20 K) from neutron diffraction data.
Acta Cryst. B39, 75-84.
![[details]](../graphics/detailsb.gif)
Chapuis, G., Farkas-Jahnke, M., Pérez-Mato,
J. M., Senechal, M., Steurer, W., Janot, C., Pandey, D. &
Yamamoto, A. (1997). Checklist for the description of incommensurate
modulated crystal structures. Report of the International Union of
Crystallography Commission on Aperiodic Crystals. Acta Cryst.
A53, 95-100.
See also
![[web]](../graphics/www.gif){kind=small}
![[cdrom]](../graphics/cd.gif){kind=small}
HTML version
(http://www.iucr.org/iucr-top/comm/capd/checklist/index.html)
Elding-Pont�n, M. Stenberg, L., Lidin, S.,
Madariaga, G. & Pérez-Mato, J.-M. (1997).
Structure of Mn8Sn5.
Acta Cryst. B53, 364-372.
Gao, Y., Coppens, P., Cox D. E. &
Moodenbaugh, A. R. (1993).
Combined X-ray single-crystal and neutron powder refinement of
modulated structures and application to the incommensurately modulated
structure of Bi2Sr2CaCu2O8+y.
Acta Cryst. A49, 141-148.
Janssen, T., Janner, A., Looijenga-Vos, A. &
de Wolff, P. M. (2004). Incommensurate and commensurate
modulated structures. International Tables for Crystallography,
Volume C, Mathematical, chemical and physical tables,
3rd ed., edited by E. Prince, ch. 9.8. Dordrecht: Kluwer Academic
Publishers.
Klyne, W. & Prelog, V. (1960).
Description of steric relationships across single bonds.
Experientia, 16, 521-523.
Madariaga, G., Zúñiga, F. J.,
Paciorek, W. A. & Bocanegra, E. H. (1990).
Disordered incommensurate structure of
[N(CH3)4]2CuBr4 at 248 K.
Acta Cryst. B46, 620-628.
Meyer, M., Paciorek, W. A., Schenk, K. J.,
Chapuis, G. & Depmeier, W. (1994).
Incommensurately modulated structure of ![[gamma]](../graphics/gamma_rmgif.gif)
-PAMC: new experimental evidence for amplitude and
phase fluctuations.
Acta Cryst. B50, 333-343.
Overhauser, A. W. (1971).
Observability of charge-density waves by neutron diffraction.
Phys. Rev. B, 3, 3173-3182.
Perez-Mato, J. M., Madariaga, G.,
Zuñiga, F. J. & Garcia Arribas, A. (1987).
On the structure and symmetry of incommensurate phases. A practical
formulation.
Acta Cryst. A43, 216-226.
Petrícek, V. & Dušek, M. (2000). The Crystallographic Computing System JANA. Institute of Physics, Prague, Czech Republic. See http://www-xray.fzu.cz/jana/Jana2000/jana.html
Smaalen, S. van (1991a). Symmetry of composite
crystals. Phys. Rev. B, 43, 11330-11341.
.
Smaalen, S. van (1991b). Superspace-group
approach to the modulated structure of the inorganic misfit layer
compound (LaS)1.14NbS2.
J. Phys. Condens. Matter, 3, 1247-1263.
Smaalen, S. van (1995). Incommensurate crystal structures. Crystallogr. Rev. 4, 79-202.
Wolff, P. M. de, Janssen, T. & Janner, A.
(1981). The superspace groups for incommensurate crystal structures
with a one-dimensional modulation. Acta Cryst. A37,
625-636.