U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Co9O13 by Materials Project
Abstract
Co9O13 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Co+2.89+ sites. In the first Co+2.89+ site, Co+2.89+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.78–2.19 Å. In the second Co+2.89+ site, Co+2.89+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Co–O bond distances ranging from 1.97–2.25 Å. In the third Co+2.89+ site, Co+2.89+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Co–O bond distances ranging from 1.58–2.44 Å. In the fourth Co+2.89+ site, Co+2.89+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Co–O bond distances ranging from 1.97–2.12 Å. In the fifth Co+2.89+ site, Co+2.89+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Co–O bond distances ranging from 1.68–2.52 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted square co-planar geometry to four equivalent Co+2.89+ atoms. In the secondmore »
- Authors:
- Publication Date:
- Other Number(s):
- mvc-2263
- 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; Co9O13; Co-O
- OSTI Identifier:
- 1320134
- DOI:
- https://doi.org/10.17188/1320134
Citation Formats
The Materials Project. Materials Data on Co9O13 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1320134.
The Materials Project. Materials Data on Co9O13 by Materials Project. United States. doi:https://doi.org/10.17188/1320134
The Materials Project. 2020.
"Materials Data on Co9O13 by Materials Project". United States. doi:https://doi.org/10.17188/1320134. https://www.osti.gov/servlets/purl/1320134. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1320134,
title = {Materials Data on Co9O13 by Materials Project},
author = {The Materials Project},
abstractNote = {Co9O13 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Co+2.89+ sites. In the first Co+2.89+ site, Co+2.89+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.78–2.19 Å. In the second Co+2.89+ site, Co+2.89+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Co–O bond distances ranging from 1.97–2.25 Å. In the third Co+2.89+ site, Co+2.89+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Co–O bond distances ranging from 1.58–2.44 Å. In the fourth Co+2.89+ site, Co+2.89+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Co–O bond distances ranging from 1.97–2.12 Å. In the fifth Co+2.89+ site, Co+2.89+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Co–O bond distances ranging from 1.68–2.52 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted square co-planar geometry to four equivalent Co+2.89+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Co+2.89+ atoms. In the third O2- site, O2- is bonded to five Co+2.89+ atoms to form distorted edge-sharing OCo5 square pyramids. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Co+2.89+ atoms. In the fifth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Co+2.89+ atoms. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to five Co+2.89+ atoms. In the seventh O2- site, O2- is bonded in a 6-coordinate geometry to six Co+2.89+ atoms.},
doi = {10.17188/1320134},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}