Abstract
The mixed lithium tin iodide LiSn3I7 was prepared by reacting LiI and SnI2 at 300 °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 7Li, 119Sn and 127I MAS NMR spectra. DFT band structure calculations show LiSn3I7 to be a semiconductor with an indirect bandgap on the order of 2 eV.

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