U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr2CuO3 by Materials Project
Abstract
Sr2CuO3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Sr2+ is bonded to seven O2- atoms to form a mixture of distorted corner, edge, and face-sharing SrO7 pentagonal bipyramids. There are a spread of Sr–O bond distances ranging from 2.52–2.67 Å. Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.96 Å) and two longer (1.99 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Cu2+ atoms to form OSr4Cu2 octahedra that share corners with fourteen OSr4Cu2 octahedra, edges with two equivalent OSr4Cu2 octahedra, and faces with four equivalent OSr5Cu octahedra. The corner-sharing octahedra tilt angles range from 0–61°. In the second O2- site, O2- is bonded to five equivalent Sr2+ and one Cu2+ atom to form OSr5Cu octahedra that share corners with eleven OSr4Cu2 octahedra, edges with eight equivalent OSr5Cu octahedra, and faces with two equivalent OSr4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–61°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-5456
- 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; Sr2CuO3; Cu-O-Sr
- OSTI Identifier:
- 1267081
- DOI:
- https://doi.org/10.17188/1267081
Citation Formats
The Materials Project. Materials Data on Sr2CuO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267081.
The Materials Project. Materials Data on Sr2CuO3 by Materials Project. United States. doi:https://doi.org/10.17188/1267081
The Materials Project. 2020.
"Materials Data on Sr2CuO3 by Materials Project". United States. doi:https://doi.org/10.17188/1267081. https://www.osti.gov/servlets/purl/1267081. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1267081,
title = {Materials Data on Sr2CuO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2CuO3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Sr2+ is bonded to seven O2- atoms to form a mixture of distorted corner, edge, and face-sharing SrO7 pentagonal bipyramids. There are a spread of Sr–O bond distances ranging from 2.52–2.67 Å. Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.96 Å) and two longer (1.99 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Cu2+ atoms to form OSr4Cu2 octahedra that share corners with fourteen OSr4Cu2 octahedra, edges with two equivalent OSr4Cu2 octahedra, and faces with four equivalent OSr5Cu octahedra. The corner-sharing octahedra tilt angles range from 0–61°. In the second O2- site, O2- is bonded to five equivalent Sr2+ and one Cu2+ atom to form OSr5Cu octahedra that share corners with eleven OSr4Cu2 octahedra, edges with eight equivalent OSr5Cu octahedra, and faces with two equivalent OSr4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–61°.},
doi = {10.17188/1267081},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}