Cristallography
Philippe Deniard (DR)
Structural analysis: (RX and neutrons, powder and single crystals, non harmonicity of atomic displacement parameters, resonant scattering, super space group magnetic structure, development of fundamental parameters approach, PDF analysis).
Ab initio structural determination: (direct methods, parallel annealing, flipping charge)
Quantitative analysis: (with or without amorphous phase, by Rietveld or PDF).
Organization of powder DRX training for 23 years and additional training for 6 years.
 |
 |
|
Iso probabilité de densité électronique |
PDF du soufre et son affinement |
Involved people
Philippe Deniard (DR)
Publications
Structural modulation in Sr1.4Ta0.6O2.9: non-harmonicity on ADPs during Rietveld refinement,
P. Deniard, M. Caldes, X. Zou, N. Diot, R. Marchand, R. Brec,
International Journal of Inorganic Materials 3, 1121, (2001).
Determination of the crystallized fractions of a largely amorphous multiphase material by the Rietveld method,
X. Orlhac, C. Fillet, P. Deniard, A. Dulac, R. Brec,
J. of Applied Crystallography 34, 114, (2001).
Structural characterization of the hollandite host lattice for the confinement of radioactive cesium: Quantification of the amorphous phase taking into account the incommensurate modulated character of the crystallized part,
A. Leinekugel-Le-Cocq-Errien, P. Deniard, S. Jobic, E. Gautier, M. Evain, V. Aubin, F. Bart,
Journal of Solid State Chemistry 180, 322, (2007).
Modelling and quantification of intergrowth in γ-MnO2 by laboratory pair distribution function analysis,
K. Galliez, P. Deniard, P.-E. Petit, D. Lambertin, F. Bart, S. Jobic,
Journal of Applied Crystallography 47 (2014), sous presse.
X-ray resonant single-crystal diffraction technique, a powerful tool to investigate the kesterite structure of the photovoltaic Cu2ZnSnS4 compound,
Lafond, A., Choubrac, L., Guillot-Deudon, C., Fertey, P., Evain, M. & Jobic,
S.. Acta Cryst. B70, (2014), sous presse.
Collaborators
Vaclav Petricek, Institute of Physics, Academy of Science Praha, Rép. tchèque