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Cu5In3 - Cu3In2 revisited

DOI: 10.1002/ejic.201800316 DOI Help

Authors: Sven Lidin (Lunds Universitet) , Shuying Piao (Bruker AXS)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: European Journal Of Inorganic Chemistry

State: Published (Approved)
Published: May 2018
Diamond Proposal Number(s): 8910

Abstract: The eta‐phase field of the Cu‐In system is unusually rich and shows wealth of phases that are all related to the B8 (NiAs/Ni2In) type. Previous electron diffraction work have revealed extensive super structure ordering and in this study we report single crystal diffraction experiments on high‐quality samples of two of the phases in the system, ht1‐Cu5In3 and ht2‐Cu5In3. Both these phases constitute super structures, caused by the ordering of interstitials. The structure ht2‐Cu5In3 is a relatively simple structure with a bidimensional modulation but where only first order satellites are visible, indicating incomplete order whereas ht1‐Cu5In3 displays many high order satellites and the refined structure exhibit nearly perfect order with step‐function‐like occupancy domains. The refinement of the structure of ht1‐Cu5In3 is challenging for several reasons. It is difficult to integrate the data because of the unusual combination of very closely spaced satellites caused by q‐vectors close to (1/3 1/3 0) and a paucity of reflections in total, caused by the small substructure. A second challenge is the refinement of what amounts to a two dimensional step function. In effect, the shape of a two‐dimensional occupation domain is defined by a fourier series and the problem of defining that shape is non‐trivial.

Subject Areas: Chemistry

Instruments: I19-Small Molecule Single Crystal Diffraction

Other Facilities: Soleil

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