Materials Data on SrRuO3 by Materials Project
Abstract
SrRuO3 crystallizes in the orthorhombic Cmcm 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 2.56–2.59 Å. Ru4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are two shorter (1.95 Å) and four longer (2.08 Å) Ru–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and two equivalent Ru4+ atoms. In the second O2- site, O2- is bonded to three equivalent Sr2+ and two equivalent Ru4+ atoms to form a mixture of distorted corner and edge-sharing OSr3Ru2 square pyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1079352
- 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; SrRuO3; O-Ru-Sr
- OSTI Identifier:
- 1739380
- DOI:
- https://doi.org/10.17188/1739380
Citation Formats
The Materials Project. Materials Data on SrRuO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1739380.
The Materials Project. Materials Data on SrRuO3 by Materials Project. United States. doi:https://doi.org/10.17188/1739380
The Materials Project. 2020.
"Materials Data on SrRuO3 by Materials Project". United States. doi:https://doi.org/10.17188/1739380. https://www.osti.gov/servlets/purl/1739380. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1739380,
title = {Materials Data on SrRuO3 by Materials Project},
author = {The Materials Project},
abstractNote = {SrRuO3 crystallizes in the orthorhombic Cmcm 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 2.56–2.59 Å. Ru4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are two shorter (1.95 Å) and four longer (2.08 Å) Ru–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and two equivalent Ru4+ atoms. In the second O2- site, O2- is bonded to three equivalent Sr2+ and two equivalent Ru4+ atoms to form a mixture of distorted corner and edge-sharing OSr3Ru2 square pyramids.},
doi = {10.17188/1739380},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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