U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SrCu2O3 by Materials Project
Abstract
SrCu2O3 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.42–2.77 Å. Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.89 Å) and two longer (2.06 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Cu2+ atoms to form distorted OSr2Cu3 trigonal bipyramids that share corners with three equivalent OSr2Cu2 tetrahedra, corners with six equivalent OSr2Cu3 trigonal bipyramids, edges with two equivalent OSr2Cu2 tetrahedra, and edges with three equivalent OSr2Cu3 trigonal bipyramids. In the second O2- site, O2- is bonded to two equivalent Sr2+ and two equivalent Cu2+ atoms to form distorted OSr2Cu2 tetrahedra that share corners with two equivalent OSr2Cu2 tetrahedra, corners with six equivalent OSr2Cu3 trigonal bipyramids, and edges with four equivalent OSr2Cu3 trigonal bipyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-753181
- 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; SrCu2O3; Cu-O-Sr
- OSTI Identifier:
- 1288945
- DOI:
- https://doi.org/10.17188/1288945
Citation Formats
The Materials Project. Materials Data on SrCu2O3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1288945.
The Materials Project. Materials Data on SrCu2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1288945
The Materials Project. 2020.
"Materials Data on SrCu2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1288945. https://www.osti.gov/servlets/purl/1288945. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1288945,
title = {Materials Data on SrCu2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {SrCu2O3 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.42–2.77 Å. Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.89 Å) and two longer (2.06 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Cu2+ atoms to form distorted OSr2Cu3 trigonal bipyramids that share corners with three equivalent OSr2Cu2 tetrahedra, corners with six equivalent OSr2Cu3 trigonal bipyramids, edges with two equivalent OSr2Cu2 tetrahedra, and edges with three equivalent OSr2Cu3 trigonal bipyramids. In the second O2- site, O2- is bonded to two equivalent Sr2+ and two equivalent Cu2+ atoms to form distorted OSr2Cu2 tetrahedra that share corners with two equivalent OSr2Cu2 tetrahedra, corners with six equivalent OSr2Cu3 trigonal bipyramids, and edges with four equivalent OSr2Cu3 trigonal bipyramids.},
doi = {10.17188/1288945},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}