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Title: Materials Data on ZnFeF4 by Materials Project

Abstract

FeZnF4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Fe–F bond distances ranging from 2.11–2.47 Å. In the second Fe2+ site, Fe2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Fe–F bond distances ranging from 2.12–2.49 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted body-centered cubic geometry to eight F1- atoms. There are a spread of Zn–F bond distances ranging from 2.02–2.51 Å. In the second Zn2+ site, Zn2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zn–F bond distances ranging from 2.01–2.56 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to two Fe2+ and two Zn2+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to two Fe2+ and two Zn2+ atoms. In the third F1- site, F1- is bonded in a 4-coordinate geometry to two Fe2+ andmore » two Zn2+ atoms. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to two Fe2+ and two Zn2+ atoms. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to two Fe2+ and two Zn2+ atoms. In the sixth F1- site, F1- is bonded in a 4-coordinate geometry to two Fe2+ and two Zn2+ atoms. In the seventh F1- site, F1- is bonded in a 4-coordinate geometry to two Fe2+ and two Zn2+ atoms. In the eighth F1- site, F1- is bonded in a 4-coordinate geometry to two Fe2+ and two Zn2+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mvc-3519
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; ZnFeF4; F-Fe-Zn
OSTI Identifier:
1320605
DOI:
https://doi.org/10.17188/1320605

Citation Formats

The Materials Project. Materials Data on ZnFeF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1320605.
The Materials Project. Materials Data on ZnFeF4 by Materials Project. United States. doi:https://doi.org/10.17188/1320605
The Materials Project. 2020. "Materials Data on ZnFeF4 by Materials Project". United States. doi:https://doi.org/10.17188/1320605. https://www.osti.gov/servlets/purl/1320605. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1320605,
title = {Materials Data on ZnFeF4 by Materials Project},
author = {The Materials Project},
abstractNote = {FeZnF4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Fe–F bond distances ranging from 2.11–2.47 Å. In the second Fe2+ site, Fe2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Fe–F bond distances ranging from 2.12–2.49 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted body-centered cubic geometry to eight F1- atoms. There are a spread of Zn–F bond distances ranging from 2.02–2.51 Å. In the second Zn2+ site, Zn2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zn–F bond distances ranging from 2.01–2.56 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to two Fe2+ and two Zn2+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to two Fe2+ and two Zn2+ atoms. In the third F1- site, F1- is bonded in a 4-coordinate geometry to two Fe2+ and two Zn2+ atoms. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to two Fe2+ and two Zn2+ atoms. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to two Fe2+ and two Zn2+ atoms. In the sixth F1- site, F1- is bonded in a 4-coordinate geometry to two Fe2+ and two Zn2+ atoms. In the seventh F1- site, F1- is bonded in a 4-coordinate geometry to two Fe2+ and two Zn2+ atoms. In the eighth F1- site, F1- is bonded in a 4-coordinate geometry to two Fe2+ and two Zn2+ atoms.},
doi = {10.17188/1320605},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}