Materials Data on Sr2CoO4 by Materials Project
Abstract
Sr2CoO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–2.70 Å. Co4+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There is four shorter (1.91 Å) and two longer (2.00 Å) Co–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Co4+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–56°. In the second O2- site, O2- is bonded to five equivalent Sr2+ and one Co4+ atom to form distorted OSr5Co octahedra that share corners with seventeen OSr4Co2 octahedra, edges with eight equivalent OSr5Co octahedra, and faces with four equivalent OSr4Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–56°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-18724
- 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; Sr2CoO4; Co-O-Sr
- OSTI Identifier:
- 1193405
- DOI:
- https://doi.org/10.17188/1193405
Citation Formats
The Materials Project. Materials Data on Sr2CoO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1193405.
The Materials Project. Materials Data on Sr2CoO4 by Materials Project. United States. doi:https://doi.org/10.17188/1193405
The Materials Project. 2020.
"Materials Data on Sr2CoO4 by Materials Project". United States. doi:https://doi.org/10.17188/1193405. https://www.osti.gov/servlets/purl/1193405. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1193405,
title = {Materials Data on Sr2CoO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2CoO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–2.70 Å. Co4+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There is four shorter (1.91 Å) and two longer (2.00 Å) Co–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Co4+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–56°. In the second O2- site, O2- is bonded to five equivalent Sr2+ and one Co4+ atom to form distorted OSr5Co octahedra that share corners with seventeen OSr4Co2 octahedra, edges with eight equivalent OSr5Co octahedra, and faces with four equivalent OSr4Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–56°.},
doi = {10.17188/1193405},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}