The Lithium Iodostannate LiSn3I7: Synthesis, Properties and its Relationship to SnI2

The mixed lithium tin iodide LiSn3I7 was prepared by reacting LiI and SnI2 at 300 degrees C. Single-crystal X-ray diffraction revealed a crystal structure related to that of SnI2, with nearly identical coordination environments of tin atoms. The lithium ion in the structure of LiSn3I7 shares one crystallographic position with a tin atom in octahedral voids of (LiSn)Sn2I7, as confirmed by solid-state Li-7, Sn-119 and I-127 MAS NMR spectra. DFT band structure calculations show LiSn3I7 to be a semiconductor with an indirect bandgap on the order of 2 eV.

Automated summary

The crystal structure of LiSn3I7, resembling that of SnI2, was confirmed through X-ray diffraction and solid-state NMR experiments. It was found to be a semiconductor with an indirect bandgap of approximately 2 eV.