Structural Investigations of Nickel-Substituted Bornite


We wish to collect powder neutron diffraction data on modified bornites, Cu5Fe1-xNixS4 (0<x<0.1) to study the impact of nickel substitution on the distribution of cations over tetrahedral sites in the antifluorite and zinc blende sub-cells. In particular, we wish to establish if the preferential occupation by Fe3+ of sites in the antifluorite sub-cell we have identified in bornite, is retained on nickel substitution. We will explore the evolution of structure with composition by collecting data at room temperature for a range of nickel contents. We will also investigate structural changes through two vacancy-disordering transitions, by collection of data as a function of temperature Detailed structural data are essential to efforts to understand the changes in thermoelectric properties that result from nickel substitution, which significantly enhance the figure of merit;

Metadata Access
Creator Dr Paz Vaqueiro-Rodriguez; Dr Ron Smith; Mr Suraj Smith; Professor Anthony Powell; Dr Lorena Garza
Publisher ISIS Neutron and Muon Source
Publication Year 2022
Rights CC-BY Attribution 4.0 International;
OpenAccess true
Contact isisdata(at)
Resource Type Dataset
Discipline Chemistry; Natural Sciences
Temporal Coverage Begin 2019-11-28T08:30:00Z
Temporal Coverage End 2019-12-01T17:20:42Z