The effect of multiple diffraction on the determination of electron density distributions

1968 ◽  
Vol 1 (4) ◽  
pp. 255-257 ◽  
Author(s):  
D. Panke ◽  
E. Wölfel
1995 ◽  
Vol 15 (2) ◽  
pp. 103-107 ◽  
Author(s):  
I. Kimura ◽  
A. Hikuma ◽  
Y. Kasahara ◽  
A. Sawada ◽  
M. Kikuchi ◽  
...  

1995 ◽  
Vol 15 (2) ◽  
pp. 201-202
Author(s):  
I. Kimura ◽  
A. Hikuma ◽  
Y. Kasahara ◽  
A. Sawada ◽  
M. Kikuchi ◽  
...  

1983 ◽  
Vol 38 (11) ◽  
pp. 1431-1440 ◽  
Author(s):  
C. Krüger ◽  
R. Goddard ◽  
K. H. Claus

Abstract The electronic deformation densities for pentacarbonylmethylethoxycarbenechromium I and chlorotetracarbonylethylidynechromium II have been experimentally determined using Neutron (for I) and X-ray diffracted intensities measured from single crystals at 100 K. A build up of electron density in all bonds and around each chromium atom is observed. Deformation density maxima are directed along the 3-fold axes of the approx-imately octahedrally coordinated metal atoms and presumably represent occupation of the t2g d-orbital set. The observed electron density distributions indicate that intermole-cular bonding has an important influence on the distribution of electron density in the molecules.


Author(s):  
D.J. Eaglesham

Convergent Beam Electron Diffraction is now almost routinely used in the determination of the point- and space-groups of crystalline samples. In addition to its small-probe capability, CBED is also postulated to be more sensitive than X-ray diffraction in determining crystal symmetries. Multiple diffraction is phase-sensitive, so that the distinction between centro- and non-centro-symmetric space groups should be trivial in CBED: in addition, the stronger scattering of electrons may give a general increase in sensitivity to small atomic displacements. However, the sensitivity of CBED symmetry to the crystal point group has rarely been quantified, and CBED is also subject to symmetry-breaking due to local strains and inhomogeneities. The purpose of this paper is to classify the various types of symmetry-breaking, present calculations of the sensitivity, and illustrate symmetry-breaking by surface strains.CBED symmetry determinations usually proceed by determining the diffraction group along various zone axes, and hence finding the point group. The diffraction group can be found using either the intensity distribution in the discs


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