The pressure-stabilized polymorph of indium triiodide

Danrui Ni, Haozhe Wang, Xianghan Xu, Weiwei Xie, Robert J. Cava

Research output: Contribution to journalArticlepeer-review


A layered rhombohedral polymorph of indium(iii) triiodide is synthesized at high pressure and temperature. The unit cell symmetry and approximate dimensions are determined by single crystal X-ray diffraction. Its R3̄ crystal structure, with a = 7.214 Å, and c = 20.47 Å, is refined by the Rietveld method on powder X-ray diffraction data. The crystal structure is based on InI6 octahedra sharing edges to form honeycomb lattice layers, though with considerable stacking defects. Different from ambient pressure InI3, which has a monoclinic molecular structure and a light-yellow color, high pressure InI3 is layered and has an orange color. The band gaps of both the monoclinic and rhombohedral variants of InI3 are estimated from diffuse reflectance measurements.

Original languageEnglish (US)
Pages (from-to)434-438
Number of pages5
JournalDalton Transactions
Issue number2
StatePublished - Dec 11 2023

All Science Journal Classification (ASJC) codes

  • Inorganic Chemistry


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