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TiGePt – a study of Friedel differences
Author(s) -
Ackerbauer SarahVirginia,
Borrmann Horst,
Bürgi HansBeat,
Flack Howard D.,
Grin Yuri,
Linden Anthony,
Palatinus Lukáš,
Schweizer W. Bernd,
Warshamanage Rangana,
Wörle Michael
Publication year - 2013
Publication title -
acta crystallographica section b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.604
H-Index - 33
eISSN - 2052-5206
pISSN - 2052-5192
DOI - 10.1107/s2052519213021635
Subject(s) - bar (unit) , scattering , antisymmetric relation , diffraction , intermetallic , resolution (logic) , crystallography , chemistry , physics , optics , mathematical physics , organic chemistry , alloy , artificial intelligence , meteorology , computer science
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 . 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 2 A obs against 2 A 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 α radiation at 295 K to a resolution of 1.25 Å −1 is less conclusive than the one measured with Mo K α radiation at 100 K to the lower resolution of 0.93 Å −1 . This result is probably due to the fact that the resonant scattering of Pt is larger for Mo K α than for Ag K α radiation.