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Title: Materials Data on ZnCoF4 by Materials Project

Abstract

CoZnF4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Co–F bond distances ranging from 2.09–2.34 Å. In the second Co2+ site, Co2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Co–F bond distances ranging from 2.08–2.34 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Zn–F bond distances ranging from 2.10–2.29 Å. In the second Zn2+ site, Zn2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Zn–F bond distances ranging from 2.13–2.31 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded to two Co2+ and two Zn2+ atoms to form a mixture of distorted corner and edge-sharing FZn2Co2 tetrahedra. In the second F1- site, F1- is bonded to two Co2+ and two Zn2+ atoms to form a mixture of corner and edge-sharing FZn2Co2 tetrahedra. In the thirdmore » F1- site, F1- is bonded to two Co2+ and two Zn2+ atoms to form a mixture of distorted corner and edge-sharing FZn2Co2 tetrahedra. In the fourth F1- site, F1- is bonded to two Co2+ and two Zn2+ atoms to form a mixture of corner and edge-sharing FZn2Co2 tetrahedra. In the fifth F1- site, F1- is bonded to two Co2+ and two Zn2+ atoms to form a mixture of corner and edge-sharing FZn2Co2 tetrahedra. In the sixth F1- site, F1- is bonded to two Co2+ and two Zn2+ atoms to form a mixture of distorted corner and edge-sharing FZn2Co2 tetrahedra. In the seventh F1- site, F1- is bonded to two Co2+ and two Zn2+ atoms to form a mixture of corner and edge-sharing FZn2Co2 tetrahedra. In the eighth F1- site, F1- is bonded to two Co2+ and two Zn2+ atoms to form a mixture of distorted corner and edge-sharing FZn2Co2 tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mvc-3380
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; ZnCoF4; Co-F-Zn
OSTI Identifier:
1320541
DOI:
https://doi.org/10.17188/1320541

Citation Formats

The Materials Project. Materials Data on ZnCoF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1320541.
The Materials Project. Materials Data on ZnCoF4 by Materials Project. United States. doi:https://doi.org/10.17188/1320541
The Materials Project. 2020. "Materials Data on ZnCoF4 by Materials Project". United States. doi:https://doi.org/10.17188/1320541. https://www.osti.gov/servlets/purl/1320541. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1320541,
title = {Materials Data on ZnCoF4 by Materials Project},
author = {The Materials Project},
abstractNote = {CoZnF4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Co–F bond distances ranging from 2.09–2.34 Å. In the second Co2+ site, Co2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Co–F bond distances ranging from 2.08–2.34 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Zn–F bond distances ranging from 2.10–2.29 Å. In the second Zn2+ site, Zn2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Zn–F bond distances ranging from 2.13–2.31 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded to two Co2+ and two Zn2+ atoms to form a mixture of distorted corner and edge-sharing FZn2Co2 tetrahedra. In the second F1- site, F1- is bonded to two Co2+ and two Zn2+ atoms to form a mixture of corner and edge-sharing FZn2Co2 tetrahedra. In the third F1- site, F1- is bonded to two Co2+ and two Zn2+ atoms to form a mixture of distorted corner and edge-sharing FZn2Co2 tetrahedra. In the fourth F1- site, F1- is bonded to two Co2+ and two Zn2+ atoms to form a mixture of corner and edge-sharing FZn2Co2 tetrahedra. In the fifth F1- site, F1- is bonded to two Co2+ and two Zn2+ atoms to form a mixture of corner and edge-sharing FZn2Co2 tetrahedra. In the sixth F1- site, F1- is bonded to two Co2+ and two Zn2+ atoms to form a mixture of distorted corner and edge-sharing FZn2Co2 tetrahedra. In the seventh F1- site, F1- is bonded to two Co2+ and two Zn2+ atoms to form a mixture of corner and edge-sharing FZn2Co2 tetrahedra. In the eighth F1- site, F1- is bonded to two Co2+ and two Zn2+ atoms to form a mixture of distorted corner and edge-sharing FZn2Co2 tetrahedra.},
doi = {10.17188/1320541},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}