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Electric field gradients and charge density in corundum, α-Al2O3
The charge density in α-Al2O3 has been refined with respect to X-ray structure factors [complete spheres for both Mo Kα and Ag Kα radiations with (sin θ/λ)max = 1.19 and 1.495 A-1 respectively] andExpand
Polymorphism and stacking disorder in tris(bicyclo[2.1.1]hexeno)benzene
Abstract The crystallization of tris(bicyclo[2.1.1]hexeno)benzene at the interface between a benzene solution and acetonitrile leads to two distinct crystal morphologies, one hexagonal and oneExpand
The charge density of urea from synchrotron diffraction data.
The charge density of urea is studied using very high precision single-crystal synchrotron-radiation diffraction data collected at the Swiss-Norwegian Beam Lines at ESRF, and the description of the C-O bond requires more flexible basis sets in the theoretical calculations. Expand
Charge density in cuprite, Cu2O
Etude de l'influence des procedures de reduction de donnees, des modeles de facteur de temperature et des modeles de deformation sur les resultats
On the Use of Least-Squares Restraints for Origin Fixing in Polar Space Groups
The theory of fixing the origin of the coordinate system in a polar space group by use of restraints (soft constraints or pseudo-observations) is developed for any space group in any setting. TheExpand
Stacking disorder: the hexagonal polymorph of tris(bicyclo[2.1.1]hexeno)benzene and related examples
Abstract X-ray diffractograms of tris(bicyclo[2.1.1]hexeno)benzene, crystallized at the interface between a benzene solution and a layer of acetonitrile, show hexagonal symmetry and streaks ofExpand
Magnetic and crystal structure of copper(II) fluoride
Abstract A powder sample of the monoclinic, weak ferromagnet CuF 2 was investigated by neutron diffraction. Using the profile method, the crystal structure was refined and the spin configurationExpand