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Title: Materials Data on Eu4C2N4F5 by Materials Project

Abstract

Eu4C2N4F5 crystallizes in the tetragonal P-42_1c space group. The structure is three-dimensional. there are four inequivalent Eu+2.25+ sites. In the first Eu+2.25+ site, Eu+2.25+ is bonded in a 9-coordinate geometry to four N3- and five F1- atoms. There are a spread of Eu–N bond distances ranging from 2.61–2.75 Å. There are a spread of Eu–F bond distances ranging from 2.44–2.58 Å. In the second Eu+2.25+ site, Eu+2.25+ is bonded in a 8-coordinate geometry to three N3- and five F1- atoms. There are a spread of Eu–N bond distances ranging from 2.59–2.95 Å. There are a spread of Eu–F bond distances ranging from 2.41–2.54 Å. In the third Eu+2.25+ site, Eu+2.25+ is bonded in a 8-coordinate geometry to three N3- and five F1- atoms. There are a spread of Eu–N bond distances ranging from 2.62–2.93 Å. There are a spread of Eu–F bond distances ranging from 2.45–2.60 Å. In the fourth Eu+2.25+ site, Eu+2.25+ is bonded in a 7-coordinate geometry to two N3- and five F1- atoms. There are one shorter (2.54 Å) and one longer (2.58 Å) Eu–N bond lengths. There are a spread of Eu–F bond distances ranging from 2.38–2.56 Å. There are three inequivalent C4+ sites. In themore » first C4+ site, C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.23 Å) and one longer (1.24 Å) C–N bond length. In the third C4+ site, C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to three Eu+2.25+ and one C4+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to three Eu+2.25+ and one C4+ atom. In the third N3- site, N3- is bonded in a distorted single-bond geometry to three Eu+2.25+ and one C4+ atom. In the fourth N3- site, N3- is bonded in a distorted single-bond geometry to three Eu+2.25+ and one C4+ atom. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to four Eu+2.25+ atoms. In the second F1- site, F1- is bonded to four Eu+2.25+ atoms to form a mixture of distorted corner and edge-sharing FEu4 tetrahedra. In the third F1- site, F1- is bonded in a 4-coordinate geometry to four Eu+2.25+ atoms. In the fourth F1- site, F1- is bonded to four Eu+2.25+ atoms to form a mixture of distorted corner and edge-sharing FEu4 tetrahedra. In the fifth F1- site, F1- is bonded to four Eu+2.25+ atoms to form a mixture of corner and edge-sharing FEu4 tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1204426
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; Eu4C2N4F5; C-Eu-F-N
OSTI Identifier:
1696029
DOI:
https://doi.org/10.17188/1696029

Citation Formats

The Materials Project. Materials Data on Eu4C2N4F5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1696029.
The Materials Project. Materials Data on Eu4C2N4F5 by Materials Project. United States. doi:https://doi.org/10.17188/1696029
The Materials Project. 2020. "Materials Data on Eu4C2N4F5 by Materials Project". United States. doi:https://doi.org/10.17188/1696029. https://www.osti.gov/servlets/purl/1696029. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1696029,
title = {Materials Data on Eu4C2N4F5 by Materials Project},
author = {The Materials Project},
abstractNote = {Eu4C2N4F5 crystallizes in the tetragonal P-42_1c space group. The structure is three-dimensional. there are four inequivalent Eu+2.25+ sites. In the first Eu+2.25+ site, Eu+2.25+ is bonded in a 9-coordinate geometry to four N3- and five F1- atoms. There are a spread of Eu–N bond distances ranging from 2.61–2.75 Å. There are a spread of Eu–F bond distances ranging from 2.44–2.58 Å. In the second Eu+2.25+ site, Eu+2.25+ is bonded in a 8-coordinate geometry to three N3- and five F1- atoms. There are a spread of Eu–N bond distances ranging from 2.59–2.95 Å. There are a spread of Eu–F bond distances ranging from 2.41–2.54 Å. In the third Eu+2.25+ site, Eu+2.25+ is bonded in a 8-coordinate geometry to three N3- and five F1- atoms. There are a spread of Eu–N bond distances ranging from 2.62–2.93 Å. There are a spread of Eu–F bond distances ranging from 2.45–2.60 Å. In the fourth Eu+2.25+ site, Eu+2.25+ is bonded in a 7-coordinate geometry to two N3- and five F1- atoms. There are one shorter (2.54 Å) and one longer (2.58 Å) Eu–N bond lengths. There are a spread of Eu–F bond distances ranging from 2.38–2.56 Å. There are three inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.23 Å) and one longer (1.24 Å) C–N bond length. In the third C4+ site, C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to three Eu+2.25+ and one C4+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to three Eu+2.25+ and one C4+ atom. In the third N3- site, N3- is bonded in a distorted single-bond geometry to three Eu+2.25+ and one C4+ atom. In the fourth N3- site, N3- is bonded in a distorted single-bond geometry to three Eu+2.25+ and one C4+ atom. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to four Eu+2.25+ atoms. In the second F1- site, F1- is bonded to four Eu+2.25+ atoms to form a mixture of distorted corner and edge-sharing FEu4 tetrahedra. In the third F1- site, F1- is bonded in a 4-coordinate geometry to four Eu+2.25+ atoms. In the fourth F1- site, F1- is bonded to four Eu+2.25+ atoms to form a mixture of distorted corner and edge-sharing FEu4 tetrahedra. In the fifth F1- site, F1- is bonded to four Eu+2.25+ atoms to form a mixture of corner and edge-sharing FEu4 tetrahedra.},
doi = {10.17188/1696029},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}