U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CdCoF5 by Materials Project
Abstract
CoCdF5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Co3+ is bonded to five F1- atoms to form distorted CoF5 trigonal bipyramids that share corners with six equivalent CdF6 octahedra. The corner-sharing octahedra tilt angles range from 18–63°. There are a spread of Co–F bond distances ranging from 1.81–2.24 Å. Cd2+ is bonded to six F1- atoms to form CdF6 octahedra that share corners with two equivalent CdF6 octahedra and corners with six equivalent CoF5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 54°. There are a spread of Cd–F bond distances ranging from 2.22–2.32 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Co3+ and one Cd2+ atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to one Co3+ and two equivalent Cd2+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Co3+ and one Cd2+ atom.
- Publication Date:
- Other Number(s):
- mp-1213938
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cd-Co-F; CdCoF5; crystal structure
- OSTI Identifier:
- 1718432
- DOI:
- https://doi.org/10.17188/1718432
Citation Formats
Materials Data on CdCoF5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1718432.
Materials Data on CdCoF5 by Materials Project. United States. doi:https://doi.org/10.17188/1718432
2020.
"Materials Data on CdCoF5 by Materials Project". United States. doi:https://doi.org/10.17188/1718432. https://www.osti.gov/servlets/purl/1718432. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1718432,
title = {Materials Data on CdCoF5 by Materials Project},
abstractNote = {CoCdF5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Co3+ is bonded to five F1- atoms to form distorted CoF5 trigonal bipyramids that share corners with six equivalent CdF6 octahedra. The corner-sharing octahedra tilt angles range from 18–63°. There are a spread of Co–F bond distances ranging from 1.81–2.24 Å. Cd2+ is bonded to six F1- atoms to form CdF6 octahedra that share corners with two equivalent CdF6 octahedra and corners with six equivalent CoF5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 54°. There are a spread of Cd–F bond distances ranging from 2.22–2.32 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Co3+ and one Cd2+ atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to one Co3+ and two equivalent Cd2+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Co3+ and one Cd2+ atom.},
doi = {10.17188/1718432},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}