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Title: Materials Data on NaEu2Cl6 by Materials Project

Abstract

NaEu2Cl6 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are three shorter (2.90 Å) and three longer (2.91 Å) Na–Cl bond lengths. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are three shorter (2.92 Å) and three longer (2.93 Å) Na–Cl bond lengths. In the third Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to nine Cl1- atoms. There are a spread of Na–Cl bond distances ranging from 2.75–3.44 Å. There are two inequivalent Eu+2.50+ sites. In the first Eu+2.50+ site, Eu+2.50+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Eu–Cl bond distances ranging from 2.99–3.07 Å. In the second Eu+2.50+ site, Eu+2.50+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Eu–Cl bond distances ranging from 2.97–3.03 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to one Na1+ and three Eu+2.50+ atoms to form a mixture of distorted corner and edge-sharingmore » ClNaEu3 tetrahedra. In the second Cl1- site, Cl1- is bonded to one Na1+ and three Eu+2.50+ atoms to form a mixture of distorted corner and edge-sharing ClNaEu3 tetrahedra. In the third Cl1- site, Cl1- is bonded to one Na1+ and three Eu+2.50+ atoms to form a mixture of distorted corner and edge-sharing ClNaEu3 tetrahedra. In the fourth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three Eu+2.50+ atoms. In the fifth Cl1- site, Cl1- is bonded to one Na1+ and three Eu+2.50+ atoms to form a mixture of distorted corner and edge-sharing ClNaEu3 tetrahedra. In the sixth Cl1- site, Cl1- is bonded to one Na1+ and three Eu+2.50+ atoms to form a mixture of distorted corner and edge-sharing ClNaEu3 tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-676909
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; NaEu2Cl6; Cl-Eu-Na
OSTI Identifier:
1283201
DOI:
https://doi.org/10.17188/1283201

Citation Formats

The Materials Project. Materials Data on NaEu2Cl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1283201.
The Materials Project. Materials Data on NaEu2Cl6 by Materials Project. United States. doi:https://doi.org/10.17188/1283201
The Materials Project. 2020. "Materials Data on NaEu2Cl6 by Materials Project". United States. doi:https://doi.org/10.17188/1283201. https://www.osti.gov/servlets/purl/1283201. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1283201,
title = {Materials Data on NaEu2Cl6 by Materials Project},
author = {The Materials Project},
abstractNote = {NaEu2Cl6 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are three shorter (2.90 Å) and three longer (2.91 Å) Na–Cl bond lengths. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are three shorter (2.92 Å) and three longer (2.93 Å) Na–Cl bond lengths. In the third Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to nine Cl1- atoms. There are a spread of Na–Cl bond distances ranging from 2.75–3.44 Å. There are two inequivalent Eu+2.50+ sites. In the first Eu+2.50+ site, Eu+2.50+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Eu–Cl bond distances ranging from 2.99–3.07 Å. In the second Eu+2.50+ site, Eu+2.50+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Eu–Cl bond distances ranging from 2.97–3.03 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to one Na1+ and three Eu+2.50+ atoms to form a mixture of distorted corner and edge-sharing ClNaEu3 tetrahedra. In the second Cl1- site, Cl1- is bonded to one Na1+ and three Eu+2.50+ atoms to form a mixture of distorted corner and edge-sharing ClNaEu3 tetrahedra. In the third Cl1- site, Cl1- is bonded to one Na1+ and three Eu+2.50+ atoms to form a mixture of distorted corner and edge-sharing ClNaEu3 tetrahedra. In the fourth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three Eu+2.50+ atoms. In the fifth Cl1- site, Cl1- is bonded to one Na1+ and three Eu+2.50+ atoms to form a mixture of distorted corner and edge-sharing ClNaEu3 tetrahedra. In the sixth Cl1- site, Cl1- is bonded to one Na1+ and three Eu+2.50+ atoms to form a mixture of distorted corner and edge-sharing ClNaEu3 tetrahedra.},
doi = {10.17188/1283201},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}