Solid Solution Series between CdIn2Te4 and AgInTe2 Investigated by Resonant X‐ray Scattering12. Issue 15 (23rd October 2014)

• Record Type: Journal Article
• Authors: Welzmiller, Simon; Hennersdorf, Felix; Fitch, Andy; Oeckler, Oliver
• Is Part Of: Zeitschrift für anorganische und allgemeine Chemie. Volume 640:Issue 15(2014)
• Page Start: 3135
• Page End: 3142
• Publication Date: 2014-10-23
• Subjects: Chemistry, Inorganic -- Periodicals; Chemistry -- Periodicals; 540
• DOI: 10.1002/zaac.201400400
• Languages: English
• ISSNs: 0044-2313

Abstract

<abstract abstract-type="main" xml:lang="en"> <title>Abstract</title> <p>AgInTe<sub>2</sub> and CdIn<sub>2</sub>Te<sub>4</sub> exhibit structures related to the chalcopyrite type. They form a solid solution (CdIn<sub>2</sub>Te<sub>4</sub>)<italic><sub>x</sub></italic>(Ag<sub>2</sub>In<sub>2</sub>Te<sub>4</sub>)<sub>1–<italic>x</italic></sub> with a miscibility gap for 0.5 < <italic>x</italic> < 0.95. Such compounds are interesting for the application in solar cells or as thermoelectric materials. Joint refinements of high‐resolution synchrotron powder diffraction data for CdIn<sub>2</sub>Te<sub>4</sub>, Ag<sub>0.75</sub>Cd<sub>0.125</sub>InTe<sub>2</sub> (<italic>x</italic> = 0.25) and Ag<sub>0.6</sub>Cd<sub>0.2</sub>InTe<sub>2</sub> (<italic>x</italic> = 0.4) measured at the K‐absorption edges of Ag, Cd, In, Te and far away from these edges yield unambiguous information on the element and vacancy distribution. In CdIn<sub>2</sub>Te<sub>4</sub>, the vacancies are completely ordered and cadmium and indium are uniformly distributed over both cation positions. Ag<sub>0.75</sub>Cd<sub>0.125</sub>InTe<sub>2</sub> and Ag<sub>0.6</sub>Cd<sub>0.2</sub>InTe<sub>2</sub>, which represent different Cd contents associated with different vacancy concentrations, exhibit disordered chalcopyrite‐type structures. The vacancies concentrate on the Ag position of AgInTe<sub>2</sub> with additional Ag, Cd and little In, whereas the In position remains predominantly occupied by In, little Ag, and almost no Cd.</p> </abstract>