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Title: 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.

Authors:
Publication Date:
Other Number(s):
mp-1105160
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; SrIrO3; Ir-O-Sr
OSTI Identifier:
1681566
DOI:
https://doi.org/10.17188/1681566

Citation Formats

The Materials Project. Materials Data on SrIrO3 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1681566.
The Materials Project. Materials Data on SrIrO3 by Materials Project. United States. doi:https://doi.org/10.17188/1681566
The Materials Project. 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},
author = {The 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}
}