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Nilges, Tom ; Pfitzner, Arno

A structural differentiation of quaternary copper argyrodites: Structure – Property relations of high temperature ion conductors

Nilges, Tom und Pfitzner, Arno (2005) A structural differentiation of quaternary copper argyrodites: Structure – Property relations of high temperature ion conductors. Zeitschrift für Kristallographie – New Crystal Structures (220), S. 281-294.

Veröffentlichungsdatum dieses Volltextes: 23 Dez 2009 11:27
Artikel
DOI zum Zitieren dieses Dokuments: 10.5283/epub.11740


Zusammenfassung

The crystal structures of 12 argyrodite type copper compounds with the general formula Cu((12-n))B(n+)Q(6-y)(2-)X(y)(-) (B = P, As, Si, Ge; Q = S, Se; X = Cl, Br, I) were refined. The positions of the copper atoms were refined by using a non-harmonic approach. All polymorphic argyrodites were investigated in their cubic high temperature modification crystallizing in spacegroup F (4) over bar 3m ...

The crystal structures of 12 argyrodite type copper compounds with the general formula Cu((12-n))B(n+)Q(6-y)(2-)X(y)(-) (B = P, As, Si, Ge; Q = S, Se; X = Cl, Br, I) were refined. The positions of the copper atoms were refined by using a non-harmonic approach. All polymorphic argyrodites were investigated in their cubic high temperature modification crystallizing in spacegroup F (4) over bar 3m (No. 216). A comprehensible way to describe the complex structures was developed based on a topological description of the rigid anion- and B-cation substructure as an arrangement of Frank-Kasper polyhedra. An analysis of the joint probability density function and of the one particle potentials for the copper atoms was performed to get a detailed insight in the copper distribution in these argyrodites. They can be divided into four types based on their different distribution of copper. This classification corresponds to the physical properties of the argyrodites, especially to their ionic conductivities, which show a significant dependence on the composition.



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Details

DokumentenartArtikel
Titel eines Journals oder einer ZeitschriftZeitschrift für Kristallographie – New Crystal Structures
Verlag:WALTER DE GRUYTER GMBH
Ort der Veröffentlichung:BERLIN
Nummer des Zeitschriftenheftes oder des Kapitels:220
Seitenbereich:S. 281-294
Datum2005
InstitutionenChemie und Pharmazie > Institut für Anorganische Chemie > Lehrstuhl Prof. Dr. Arno Pfitzner
Identifikationsnummer
WertTyp
10.1524/zkri.220.2.281.59142DOI
Stichwörter / KeywordsCRYSTAL-STRUCTURE; PHASE; CU6PS5BR; RAMAN; copper argyrodites; anharmonic refinements; ion conductors; powder diffraction structure analysis; X-ray diffraction
Dewey-Dezimal-Klassifikation500 Naturwissenschaften und Mathematik > 540 Chemie
StatusVeröffentlicht
BegutachtetJa, diese Version wurde begutachtet
An der Universität Regensburg entstandenUnbekannt / Keine Angabe
URN der UB Regensburgurn:nbn:de:bvb:355-epub-117400
Dokumenten-ID11740

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