Cation Ordering in Quaternary Sulphides and Selenides

DOI

We wish to investigate quaternary chalcogenides, A2ZnBQ4 (where A = Cu, Ag; B = Ge, Sn; Q = S, Se). Calculations indicate stannite (S) or kesterite (K) superstructures of both zinc blende (ZB) and wurtzite (W) type structures may result from cation ordering. Powder X-ray diffraction data at room temperature have generally been indexed on the basis of the tetragonal S-type structure but the presence of cations with similar X-ray scattering powers prevents determination of cation ordering schemes. The similarity of diffraction patterns for S and K derivatives introduces further ambiguity; phases such as Cu2ZnSnQ4 being described in several superstructures. The structure adopted also appears to be dependent on temperature. We will exploit the contrast afforded by neutrons to establish unambiguously the cation distribution at room temperature and investigate its evolution with temperature.

Identifier
DOI https://doi.org/10.5286/ISIS.E.67768949
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/67768949
Provenance
Creator Mr Sebastian Long; Dr Ivan da Silva Gonzalez; Mr Panagiotis Mangelis; Professor Anthony Powell; Dr Paz Vaqueiro-Rodriguez
Publisher ISIS Neutron and Muon Source
Publication Year 2018
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Chemistry; Natural Sciences
Temporal Coverage Begin 2015-11-13T08:00:00Z
Temporal Coverage End 2015-11-16T08:00:00Z