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- Title
Reasonable Diffraction Data from 'Bad' Crystals: Structure Elucidation of Ge<sub>3</sub>Sb<sub>2</sub>Te<sub>5</sub>Se and (GeTe)<sub>2.38</sub>(Sb<sub>2</sub>Te<sub>3</sub>)(Sb<sub>2</sub>)<sub>1.23</sub> Using Microfocused Synchrotron Beams.
- Authors
Urban, Philipp; Rosenthal, Tobias; Schenk, Ludwig; Vaughan, Gavin B. M.; Oeckler, Oliver
- Abstract
Both Ge3Sb2Te5Se and (GeTe)2.38(Sb2Te3)(Sb2)1.23 crystallize in the trigonal space group R $\bar{3}$ m and exhibit layered structures with 33 R stacking sequences. Whereas Ge3Sb2Te5Se ( Z = 3, a = 4.1278(12) Å, c = 61.06(2) Å, R1(obs) = 0.0427) exhibits atom sites with mixed occupancies in an otherwise long-range ordered structure isostructural to that of Ge3Sb2Te6, (GeTe)2.38(Sb2Te3)(Sb2)1.23 ( a = 4.2437(5) Å, c = 63.090(6) Å, R1(obs) = 0.0385) is characterized by stacking disorder. Its average structure formally corresponds to a superposition of Ge3Sb2Te6 and (GeTe)(Sb2Te3)(Sb2)2 whereas the real structure may contain various building blocks. A microfocused synchrotron beam enabled the structure elucidation using fragmented crystals with overall very pronounced mosaicity and probably inhomogeneities present. Selecting very small well crystallized parts of low-quality macroscopic crystals yielded datasets that were suitable for precise structure refinements.
- Subjects
CRYSTAL structure; TELLURIDES; RIETVELD refinement; VAN der Waals forces; X-ray diffraction
- Publication
Zeitschrift für Anorganische und Allgemeine Chemie, 2015, Vol 641, Issue 6, p1024
- ISSN
0044-2313
- Publication type
Article
- DOI
10.1002/zaac.201500014