Improved analysis of surface X-ray data
Abstract
A new method is developed for interpreting the difference Patterson function in surface X-ray structure analysis. The difference Patterson function has negative parts which arise from subtracting the integral Patterson function from the true Patterson function. This suggests, that by adding a judiciously chosen function one may utilize the information contained in the positivity constraint for the true Patterson function. We formulate conditions on this function and find a method to construct this function. It is shown that in many cases this function coincides with the integral Patterson function of the so-called “complementary structure”. The proposed new Patterson function obtained by adding the so constructed function to the difference Patterson function is easier to interpret than the conventional difference Patterson function.
© 2015 Oldenbourg Wissenschaftsverlag GmbH, Rosenheimer Str. 145, 81671 München
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Articles in the same Issue
- Improved analysis of surface X-ray data
- Combination of α-NbOPO4 type layers with enantiomorphic α′-type layers: the “racemic structure” of α-α′-Nb0.787W0.213OPO4
- Synthese und Kristallstruktur von Mo7Sn12Zn40 – einer kubischen Verbindung mit Ikosaedern aus Ikosaedern
- The structural study of Sr4Fe6O13 using a Weissenberg technique and synchrotron radiation – unusual ionic radii of five-coordinated Fe3+ ions
- Crystal structures of α and β modifications of trichlorophosphazo-N-sulfurylchloride Cl3PNSO2Cl
- Verschiedene Aspekte der Kristallstrukturen von YbV4O8.1 III. Domänenstruktur aus parallel verwachsenen Bereichen der α-und β-Phasen und gruppentheoretische Betrachtung ihrer Symmetrie
- Clinotobermorite, Ca5[Si3O8(OH)]2 · 4 H2O \p=n-\ Ca5[Si6O17] · 5 H2O, a natural C\p=n-\S\p=n-\H(I) type cement mineral: determination of the substructure
- The structure of [C12H14N2]3[BiCl6]2 · 2H2O at room temperature
- Structure of (2S)-1-[(2R)-2,4-diphenyl-4-oxobutylideneamino]-2-(methoxymethyl) pyrrolidine
- Crystal and molecular structure of l-hypaphorine hydroiodide
- The crystal structures of two aluminium chloro-propoxides
- Structural analysis of some benzoxazoles containing strong electron donor-acceptor groups
- Anomalous elastic properties and phase transitions of (NH4)2PF7
- Elements of Inorganic Structural Chemistry. Selected Efforts to predict Structural Features
- Micro/Nanotribology and Its Applications
- Crystal structures. I. Patterns and symmetry
- Liquid Crystals in the Nineties and Beyond
- Books Received
