Crystallography disorder
What is positional disorder crystal?
Crystallographic positional disorder is evident when a position in the lattice is occupied by two or more atoms; the average of which constitutes the bulk composition of the crystal..
What is positional disorder crystal?
Crystallographic positional disorder is evident when a position in the lattice is occupied by two or more atoms; the average of which constitutes the bulk composition of the crystal.Aug 28, 2022.
In X-ray crystallography, crystallographic disorder describes the cocrystallization of more than one rotamer, conformer, or isomer where the center of mass of each form is identical or unresolvable. As a consequence of disorder, the crystallographic solution is the sum of the various forms.
What does “disorder” mean in crystallography?
The word “disorder” is somewhat ambiguous, and in crystallography it can be used in several different contexts
For example, the word “disorder” is often associated with high atomic B-factors or alternative conformations, referring to the fact that the crystallized molecules are not all in the same conformation at the same time
Where can I find an example of disorder in crystal structures?
An introduction to disorder in crystal structures can, for example, be found in the book by Müller et al
(2006)
The authors note that since a crystal is a spatial average of a pattern (e
g a molecule, an ion pair), disorder contradicts 3D periodicity
×In crystallography, disorder refers to the cocrystallization of more than one rotamer, conformer, or isomer. This means that the orientations of some atoms differ in different unit cells. The structure determined from the diffraction pattern is the spatial average over the whole crystal. Disorder is a violation of the crystal symmetry and translation, and the content of the asymmetric units is not identical, but it is identical on average.,In X-ray crystallography, crystallographic disorder describes the cocrystallization of more than one rotamer, conformer, or isomer where the center of mass of each form is identical or unresolvable. As a consequence of disorder, the crystallographic solution is the sum of the various forms.Because of the periodicity of crystals, every object is regularly repeated in three-dimensional space, however in the case of disorder, the orientations of some atoms differ in different unit cells. The structure determined from the diffraction pattern is the spatial average over the whole crystal.Disorder disorder is a violation of the crystal symmetry and translation. The content of the asymmetric units is not identical, but it is identical on average. The obtained structure is an overlay, an average of all asymmetric units.
