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Title: Materials Data on ZnCoF5 by Materials Project

Abstract

CoZnF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Co3+ is bonded to six F1- atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of Co–F bond distances ranging from 1.87–1.98 Å. Zn2+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Zn–F bond distances ranging from 1.95–2.46 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Co3+ and two equivalent Zn2+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Co3+ and two equivalent Zn2+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Co3+ and one Zn2+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Co3+ and one Zn2+ atom. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Co3+ and one Zn2+ atom.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1320687
Report Number(s):
mvc-3741
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; ZnCoF5; Co-F-Zn

Citation Formats

The Materials Project. Materials Data on ZnCoF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1320687.
The Materials Project. Materials Data on ZnCoF5 by Materials Project. United States. https://doi.org/10.17188/1320687
The Materials Project. 2020. "Materials Data on ZnCoF5 by Materials Project". United States. https://doi.org/10.17188/1320687. https://www.osti.gov/servlets/purl/1320687.
@article{osti_1320687,
title = {Materials Data on ZnCoF5 by Materials Project},
author = {The Materials Project},
abstractNote = {CoZnF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Co3+ is bonded to six F1- atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of Co–F bond distances ranging from 1.87–1.98 Å. Zn2+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Zn–F bond distances ranging from 1.95–2.46 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Co3+ and two equivalent Zn2+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Co3+ and two equivalent Zn2+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Co3+ and one Zn2+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Co3+ and one Zn2+ atom. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Co3+ and one Zn2+ atom.},
doi = {10.17188/1320687},
url = {https://www.osti.gov/biblio/1320687}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}