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  TiGePt - a study of Friedel differences

Ackerbauer, S. V., Borrmann, H., Burgi, H. B., Flack, H. D., Grin, Y., Linden, A., et al. (2013). TiGePt - a study of Friedel differences. Acta Crystallographica Section B - Structural Science, 69, 457-464. doi:10.1107/S2052519213021635.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0015-1E40-E Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0015-1E41-C
Genre: Journal Article

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 Creators:
Ackerbauer, S. V.1, Author
Borrmann, H.2, Author              
Burgi, H. B., Author
Flack, H. D., Author
Grin, Y.3, Author              
Linden, A., Author
Palatinus, L., Author
Schweizer, W. B., Author
Warshamanage, R., Author
Worle, M., Author
Affiliations:
1Max Planck Institute for Chemical Physics of Solids, ou_1863404              
2Horst Borrmann, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863410              
3Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863413              

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 Abstract: The X-ray single-crystal diffraction intensities of the intermetallic compound TiGePt were analysed. These showed beyond doubt that the crystal structure is non-centrosymmetric. The analysis revolves around the resonant-scattering contribution to differences in intensity between Friedel opposites hkl and (h) over bar(k) over bar(l) over bar. The following techniques were used: R-merge factors on the average (A) and difference (D) of Friedel opposites; statistical estimates of the resonant-scattering contribution to Friedel opposites; plots of 2A(obs) against 2A(model) and of D-obs against D-model; the antisymmetric D-Patterson function. Moreover it was possible to show that a non-standard atomic model was unnecessary to describe TiGePt. Two data sets are compared. That measured with Ag K alpha radiation at 295 K to a resolution of 1.25 angstrom(-1) is less conclusive than the one measured with Mo K alpha radiation at 100 K to the lower resolution of 0.93 angstrom(-1). This result is probably due to the fact that the resonant scattering of Pt is larger for Mo K alpha than for AgK alpha radiation.

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Language(s): eng - English
 Dates: 2013-10-12
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Identifiers: eDoc: 670426
ISI: 000324881800005
DOI: 10.1107/S2052519213021635
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Title: Acta Crystallographica Section B - Structural Science
Source Genre: Journal
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Publ. Info: -
Pages: 5 Volume / Issue: 69 Sequence Number: - Start / End Page: 457 - 464 Identifier: ISSN: 0108-7681