ISIS Neutron and Muon Source Data Journal

Cation Ordering in Quaternary Sulphides and Selenides

Abstract: 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.

Principal Investigator: Professor Anthony Powell
Experimenter: Mr Sebastian Long
Local Contact: Dr Ivan da Silva Gonzalez
Experimenter: Mr Panagiotis Mangelis
Experimenter: Dr Paz Vaqueiro-Rodriguez

DOI: 10.5286/ISIS.E.RB1520311

ISIS Experiment Number: RB1520311

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Professor Anthony Powell et al; (2015): Cation Ordering in Quaternary Sulphides and Selenides, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1520311

Data is released under the CC-BY-4.0 license.