Materials with layered structures. III. The system CoGa2S4CoIn2S4 and the crystal structure of CoGaInS4

Abstract The crystal structure of CoGaInS4 has been determined from single crystal X-ray diffraction data and refined to R = 0.03. It crystallizes in the trigonal FeGa2S4 type (space group P 3 m1 , No. 164, a = 3.759(1), c = 12.184(2) A, Z = 1) with the following cation distribution: (Co0.61In0.39Ga)t(Co0.39In0.61)oS4. The system xCoGa2S4-(1 − x)CoIn2S4 is quasibinary. The compound CoGaInS4 has a large region of homogeneity with a marked dependence on temperature, ranging from x = 0.2 to x = 0.8 at 800°C. Compounds with high indium content show a phase transition to the ZnIn2S4(IIIa) type at 1000°C. Electronic spectra have been recorded on samples with different composition and on samples quenched from different temperatures.