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Keywords:

  • density-functional calculations;
  • high-pressure reactions;
  • oxides;
  • phase transitions;
  • solid-phase synthesis
Thumbnail image of graphical abstract

The way is open for the physical and chemical characterization and single-crystal growth of the orthorhombic o′-In2O3 polymorph. Orthorhombic In2O3 is synthesized from rhombohedral corundum-type rh-In2O3 under moderately high-pressure and high-temperature conditions (8–9 GPa, 600–1100 °C) followed by recovery to ambient pressure and temperature. The crystal-structure data at ambient conditions confirm unambiguously the Rh2O3(II)-type structure.