The new P-chalcopyrite compound Cu2FeIn2Se5; synthesis, thermal analysis (DTA), and crystal structure analysis by X-ray powder diffraction (XRPD)

The Cu 2 FeIn 2 Se 5 alloy, belonging to the system (CuInSe 2 ) 1-x (FeSe) x with x= ⅓, was synthesized by the melt and annealing technique. The differential thermal analysis (DTA) indicates that this compound melts at 1017 K. The crystal structure of this new quaternary compound was established using powder X-ray diffraction. Cation distribution analysis indicates that this material crystallizes in a P -chalcopyrite structure, space group P 2 c (No 112), with unit cell parameters a = 6.1852(2) A, c = 12.3633(9) A, V = 472.98(4) A 3 . Cu 2 FeIn 2 Se 5 is a new adamantane type compound derivative of the sphalerite structure, and consists of a three-dimensional arrangement of distorted CuSe 4 , FeSe 4 , and InSe 4 tetrahedral connected by common faces.