Materials Data on IrO3 by Materials Project
IrO3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ir is bonded to six O atoms to form corner-sharing IrO6 octahedra. The corner-sharing octahedra tilt angles range from 2–41°. There are a spread of Ir–O bond distances ranging from 1.88–1.97 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two equivalent Ir atoms. In the second O site, O is bonded in a bent 150 degrees geometry to two equivalent Ir atoms. In the third O site, O is bonded in a bent 150 degrees geometry to two equivalent Ir atoms. In the fourth O site, O is bonded in a linear geometry to two equivalent Ir atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1354966
- Report Number(s):
- mp-1022963
- Country of Publication:
- United States
- Language:
- English
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