U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Co4OF11 by Materials Project
Abstract
Co4OF11 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Co+3.25+ sites. In the first Co+3.25+ site, Co+3.25+ is bonded to one O2- and five F1- atoms to form corner-sharing CoOF5 octahedra. The corner-sharing octahedra tilt angles range from 28–36°. The Co–O bond length is 1.76 Å. There are a spread of Co–F bond distances ranging from 1.87–2.01 Å. In the second Co+3.25+ site, Co+3.25+ is bonded to six F1- atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedra tilt angles range from 35–38°. There are a spread of Co–F bond distances ranging from 1.86–1.97 Å. In the third Co+3.25+ site, Co+3.25+ is bonded to one O2- and five F1- atoms to form corner-sharing CoOF5 octahedra. The corner-sharing octahedra tilt angles range from 28–39°. The Co–O bond length is 1.84 Å. There are a spread of Co–F bond distances ranging from 1.89–2.07 Å. In the fourth Co+3.25+ site, Co+3.25+ is bonded to six F1- atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedra tilt angles range from 35–39°. There are a spread of Co–F bond distances ranging from 1.87–1.98 Å. O2- is bonded in a bent 150 degrees geometry to two Co+3.25+ atoms. Theremore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-763328
- 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; Co4OF11; Co-F-O
- OSTI Identifier:
- 1293412
- DOI:
- https://doi.org/10.17188/1293412
Citation Formats
The Materials Project. Materials Data on Co4OF11 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1293412.
The Materials Project. Materials Data on Co4OF11 by Materials Project. United States. doi:https://doi.org/10.17188/1293412
The Materials Project. 2020.
"Materials Data on Co4OF11 by Materials Project". United States. doi:https://doi.org/10.17188/1293412. https://www.osti.gov/servlets/purl/1293412. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1293412,
title = {Materials Data on Co4OF11 by Materials Project},
author = {The Materials Project},
abstractNote = {Co4OF11 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Co+3.25+ sites. In the first Co+3.25+ site, Co+3.25+ is bonded to one O2- and five F1- atoms to form corner-sharing CoOF5 octahedra. The corner-sharing octahedra tilt angles range from 28–36°. The Co–O bond length is 1.76 Å. There are a spread of Co–F bond distances ranging from 1.87–2.01 Å. In the second Co+3.25+ site, Co+3.25+ is bonded to six F1- atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedra tilt angles range from 35–38°. There are a spread of Co–F bond distances ranging from 1.86–1.97 Å. In the third Co+3.25+ site, Co+3.25+ is bonded to one O2- and five F1- atoms to form corner-sharing CoOF5 octahedra. The corner-sharing octahedra tilt angles range from 28–39°. The Co–O bond length is 1.84 Å. There are a spread of Co–F bond distances ranging from 1.89–2.07 Å. In the fourth Co+3.25+ site, Co+3.25+ is bonded to six F1- atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedra tilt angles range from 35–39°. There are a spread of Co–F bond distances ranging from 1.87–1.98 Å. O2- is bonded in a bent 150 degrees geometry to two Co+3.25+ atoms. There are eleven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two Co+3.25+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two Co+3.25+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two Co+3.25+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two Co+3.25+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two Co+3.25+ atoms. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to two Co+3.25+ atoms. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to two Co+3.25+ atoms. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to two Co+3.25+ atoms. In the ninth F1- site, F1- is bonded in a bent 150 degrees geometry to two Co+3.25+ atoms. In the tenth F1- site, F1- is bonded in a bent 150 degrees geometry to two Co+3.25+ atoms. In the eleventh F1- site, F1- is bonded in a bent 150 degrees geometry to two Co+3.25+ atoms.},
doi = {10.17188/1293412},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 22 00:00:00 EDT 2020},
month = {Wed Jul 22 00:00:00 EDT 2020}
}