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Title: 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.

Authors:
Publication Date:
Other Number(s):
mp-1213938
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; CdCoF5; Cd-Co-F
OSTI Identifier:
1718432
DOI:
https://doi.org/10.17188/1718432

Citation Formats

The Materials Project. Materials Data on CdCoF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1718432.
The Materials Project. Materials Data on CdCoF5 by Materials Project. United States. doi:https://doi.org/10.17188/1718432
The Materials Project. 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 00:00:00 EDT 2020
@article{osti_1718432,
title = {Materials Data on CdCoF5 by Materials Project},
author = {The 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}
}