Towards the real structure of quasicrystals and approximants by analysing diffuse scattering and deconvolving the Patterson

Citation
Ma. Estermann et al., Towards the real structure of quasicrystals and approximants by analysing diffuse scattering and deconvolving the Patterson, Z KRISTALL, 215(10), 2000, pp. 584-596
Citations number
66
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ZEITSCHRIFT FUR KRISTALLOGRAPHIE
ISSN journal
00442968 → ACNP
Volume
215
Issue
10
Year of publication
2000
Pages
584 - 596
Database
ISI
SICI code
0044-2968(2000)215:10<584:TTRSOQ>2.0.ZU;2-O
Abstract
Methods based on X-ray area detectors are presented for acquiring and analy sing single-crystal X-ray diffraction data from quasicrystals and approxima nts. These methods are complementary to high-resolution diffractometry and fully exploit the possibilities of modern two-dimensional X-ray detector sy stems (imaging plates and charge coupled devices) such as the on-line read- out capability and the possibility to collect large volumes of reciprocal s pace in a quantitative and rapid way. Ln contrast to a classical point dete ctor, area detectors allow the measurement of a very large number of Bragg reflections in a reasonable time scale, as is shown with a large unit-cell periodic approximant in the Al-Co-Ni alloy system. For large approximants e xhibiting strong pseudosymmetry, direct methods for structure solution usua lly fail. Recently implemented Patterson deconvolution techniques are shown to succeed. The extension of techniques for area detectors - beyond the st andard application of collecting integrated Bragg intensities - to the quan titative acquisition of continuous and diffuse scattering data is presented with particular emphasis on quasicrystals. One of the key techniques is th e quantitative reconstruction of undistorted layers and volumes in reciproc al space. This is crucial for developing and comparing possible models for structural disorder in quasicrystals. Examples for decagonal Al-Co-Ni and i cosahedraI Al-Mn-Pd are given in respect to possibilities and limitations o f X-ray area detectors.