U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SrIrO3 by Materials Project
Abstract
SrIrO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–2.83 Å. Ir4+ is bonded to six O2- atoms to form corner-sharing IrO6 octahedra. The corner-sharing octahedra tilt angles range from 26–27°. There are two shorter (2.04 Å) and four longer (2.06 Å) Ir–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Ir4+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+ and two equivalent Ir4+ atoms.
- Publication Date:
- Other Number(s):
- mp-1105160
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ir-O-Sr; SrIrO3; crystal structure
- OSTI Identifier:
- 1681566
- DOI:
- https://doi.org/10.17188/1681566
Citation Formats
Materials Data on SrIrO3 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1681566.
Materials Data on SrIrO3 by Materials Project. United States. doi:https://doi.org/10.17188/1681566
2018.
"Materials Data on SrIrO3 by Materials Project". United States. doi:https://doi.org/10.17188/1681566. https://www.osti.gov/servlets/purl/1681566. Pub date:Thu Jul 19 00:00:00 EDT 2018
@article{osti_1681566,
title = {Materials Data on SrIrO3 by Materials Project},
abstractNote = {SrIrO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–2.83 Å. Ir4+ is bonded to six O2- atoms to form corner-sharing IrO6 octahedra. The corner-sharing octahedra tilt angles range from 26–27°. There are two shorter (2.04 Å) and four longer (2.06 Å) Ir–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Ir4+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+ and two equivalent Ir4+ atoms.},
doi = {10.17188/1681566},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}