Structure and Bonding of Two Modifications of CsSnI3 by Means of Powder X-Ray Diffraction, 127I NQR, and DTA

A first-order phase transition accompanied by a color change from green to black was observed for CsSnI3 at about 425 K. These two modifications showed quite different 127I NQR spectra suggesting drastic structural change. High temperature modification has a perovskite structure with semi-metallic electric conductivity. The anion structure and bonding for the two modifications have been discussed on the basis of 127I NQR and X-ray diffraction data.