U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr3Ir2O7 by Materials Project
Abstract
Sr3Ir2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–2.98 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted octahedral geometry to six O2- atoms. There are four shorter (2.46 Å) and two longer (2.62 Å) Sr–O bond lengths. Ir4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ir–O bond distances ranging from 1.89–1.92 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Sr2+ and two equivalent Ir4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Sr2+ and one Ir4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Ir4+ atom.
- Publication Date:
- Other Number(s):
- mp-1173235
- 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; crystal structure; Ir-O-Sr; Sr3Ir2O7
- OSTI Identifier:
- 1677979
- DOI:
- https://doi.org/10.17188/1677979
Citation Formats
Materials Data on Sr3Ir2O7 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1677979.
Materials Data on Sr3Ir2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1677979
2019.
"Materials Data on Sr3Ir2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1677979. https://www.osti.gov/servlets/purl/1677979. Pub date:Thu Jan 10 19:00:00 EST 2019
@article{osti_1677979,
title = {Materials Data on Sr3Ir2O7 by Materials Project},
abstractNote = {Sr3Ir2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–2.98 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted octahedral geometry to six O2- atoms. There are four shorter (2.46 Å) and two longer (2.62 Å) Sr–O bond lengths. Ir4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ir–O bond distances ranging from 1.89–1.92 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Sr2+ and two equivalent Ir4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Sr2+ and one Ir4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Ir4+ atom.},
doi = {10.17188/1677979},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}