Materials Data on Sr2Co2O5 by Materials Project
Abstract
Sr2Co2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are eight shorter (2.72 Å) and two longer (2.80 Å) Sr–O bond lengths. There are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.85 Å) and four longer (2.15 Å) Co–O bond lengths. In the second Co3+ site, Co3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Co–O bond lengths are 1.81 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+ and two Co3+ atoms to form a mixture of distorted corner, edge, and face-sharing OSr4Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–68°. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Co3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1094065
- 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; Sr2Co2O5; Co-O-Sr
- OSTI Identifier:
- 1679153
- DOI:
- https://doi.org/10.17188/1679153
Citation Formats
The Materials Project. Materials Data on Sr2Co2O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1679153.
The Materials Project. Materials Data on Sr2Co2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1679153
The Materials Project. 2020.
"Materials Data on Sr2Co2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1679153. https://www.osti.gov/servlets/purl/1679153. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1679153,
title = {Materials Data on Sr2Co2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2Co2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are eight shorter (2.72 Å) and two longer (2.80 Å) Sr–O bond lengths. There are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.85 Å) and four longer (2.15 Å) Co–O bond lengths. In the second Co3+ site, Co3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Co–O bond lengths are 1.81 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+ and two Co3+ atoms to form a mixture of distorted corner, edge, and face-sharing OSr4Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–68°. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Co3+ atoms.},
doi = {10.17188/1679153},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}