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Structural Refinements on Intensity Data Restricted in High-Pressure Diffraction Experiments

Kamil F. Dziubek 

Adam Mickiewicz University, Faculty of Chemistry, Grunwaldzka 6, PoznaƄ 60-780, Poland

Abstract

Kamil Dziubek and Andrzej Katrusiak
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The quality of the data collected in high-pressure measurements is the net effect of several factors including higher background level, absorption and extinction of diamond anvils, absorption of beryllium disks, difficulties in distinguishing of the reflections from the sample and diamonds, beryllium disks, gasket and reference crystal, etc. One of the important restrictions is the limitation of the access to the reciprocal space by the steel elements of the diamond anvil cell (DAC). Merrill-Bassett DAC's have the windows of axial symmetry of double circular cone with the opening angle of about 40. Thus a part of the reciprocal lattice is inaccessible for reflection measurements. In our work we present the influence of the access limit on the structural data refinement. Calculations have been done for the data collected from the diffraction experiment of the crystal mounted in DAC, and also simulations were carried out for results of diffraction data collections for the bare crystal samples (outside the DAC).

 

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Related papers

Presentation: poster at High Pressure School 2001 (4th), by Kamil F. Dziubek
See On-line Journal of High Pressure School 2001 (4th)

Submitted: 2003-02-16 17:33
Revised:   2009-06-08 12:55