Materials Data on CdCoF5 by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1718432
- Report Number(s):
- mp-1213938
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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