The four structures with maximum degree of order, one of which is the observed one, and the family reflections common to all domains are identified.
The obtained fraction of monoclinic grains develop twinned structures, but there is still a lack of information about the character of grain boundaries formed in doped monoclinic solid solutions.
Significant conformational differences are indicated by a number of the torsion angles involving H atoms when compared with previous X-ray studies. In the transition from phase I to II these voids begin to close up, but at the cost of breaking the OD. The hydroxyl D atom now bifurcates between the OD. In the transition from phase I to II these voids begin to close up, but at the cost of breaking the OD. O hydrogen bonds, two two-centre iodo. O hydrogen bonds and a two-centre iodo. O hydrogen bonds, together with a two-centre iodo.
Hirshfeld surface fingerprint plots show that D. O hydrogen bonds and two three-centre iodo. OD hydrogen bonds are replaced by shorter OD. This polymorphism seems to be correlated to the thermal history of the sample.
The hydroxyl D atom now bifurcates between the OD. The four structures with maximum degree of order, one of which is the observed one, and the family reflections common to all domains are identified. A layer can assume four different but equivalent positions with respect to its nearest neighbor.
The near-neighbor relations between molecules remain unchanged through all twin boundaries. This method was confirmed to be efficient for reducing the number of structural parameters required in the refinement in comparison to the conventional three-dimensional description.
This is achieved by modifying the relative orientations of molecules and by encouraging the formation of denser structures in which molecules pack together more efficiently.
This minor deviation from pseudo-symmetry could not be identified by X-ray diffraction.
A non-conventional mechanism of strain relaxation has been proposed, which is competitive with respect to the usual formation of misfit dislocations.
Despite the great diversity of CN and types of coordination polyhedra, the volume of the VD polyhedron was found to depend only on the identity of the Ln atom and its oxidation state.
The model reveals the presence of O-phospho-l-serinate monoanions, ammonium cations and partly disordered water molecules.
Molecular dipole moments and electrostatic potentials obtained from invariom modelling are discussed and compared with results from ab initio theoretical calculations.
Molecular dipole moments and electrostatic potentials obtained from invariom modelling are discussed and compared with results from ab initio theoretical calculations.
OD hydrogen bonds are replaced by shorter OD.