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Title: Materials Data on Na2EuCl5 by Materials Project

Abstract

Na2EuCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Na–Cl bond distances ranging from 3.05–3.34 Å. Eu3+ is bonded to seven Cl1- atoms to form distorted edge-sharing EuCl7 pentagonal bipyramids. There are a spread of Eu–Cl bond distances ranging from 2.80–2.89 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent Na1+ and one Eu3+ atom to form ClNa4Eu square pyramids that share corners with four equivalent ClNa4Eu trigonal bipyramids, corners with eight equivalent ClNa2Eu2 trigonal pyramids, edges with two equivalent ClNa4Eu square pyramids, an edgeedge with one ClNa4Eu trigonal bipyramid, edges with two equivalent ClNa2Eu2 trigonal pyramids, and a faceface with one ClNa4Eu trigonal bipyramid. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent Na1+ and one Eu3+ atom. In the third Cl1- site, Cl1- is bonded to four equivalent Na1+ and one Eu3+ atom to form distorted ClNa4Eu trigonal bipyramids that share corners with four equivalent ClNa4Eu square pyramids, corners with four equivalent ClNa4Eu trigonal bipyramids, corners with four equivalent ClNa2Eu2 trigonal pyramids, an edgeedgemore » with one ClNa4Eu square pyramid, edges with four equivalent ClNa2Eu2 trigonal pyramids, and a faceface with one ClNa4Eu square pyramid. In the fourth Cl1- site, Cl1- is bonded to two equivalent Na1+ and two equivalent Eu3+ atoms to form distorted ClNa2Eu2 trigonal pyramids that share corners with four equivalent ClNa4Eu square pyramids, corners with two equivalent ClNa4Eu trigonal bipyramids, corners with six equivalent ClNa2Eu2 trigonal pyramids, an edgeedge with one ClNa4Eu square pyramid, edges with two equivalent ClNa4Eu trigonal bipyramids, and an edgeedge with one ClNa2Eu2 trigonal pyramid.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-617407
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Na2EuCl5; Cl-Eu-Na
OSTI Identifier:
1277927
DOI:
10.17188/1277927

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Na2EuCl5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1277927.
Persson, Kristin, & Project, Materials. Materials Data on Na2EuCl5 by Materials Project. United States. doi:10.17188/1277927.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Na2EuCl5 by Materials Project". United States. doi:10.17188/1277927. https://www.osti.gov/servlets/purl/1277927. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1277927,
title = {Materials Data on Na2EuCl5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Na2EuCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Na–Cl bond distances ranging from 3.05–3.34 Å. Eu3+ is bonded to seven Cl1- atoms to form distorted edge-sharing EuCl7 pentagonal bipyramids. There are a spread of Eu–Cl bond distances ranging from 2.80–2.89 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent Na1+ and one Eu3+ atom to form ClNa4Eu square pyramids that share corners with four equivalent ClNa4Eu trigonal bipyramids, corners with eight equivalent ClNa2Eu2 trigonal pyramids, edges with two equivalent ClNa4Eu square pyramids, an edgeedge with one ClNa4Eu trigonal bipyramid, edges with two equivalent ClNa2Eu2 trigonal pyramids, and a faceface with one ClNa4Eu trigonal bipyramid. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent Na1+ and one Eu3+ atom. In the third Cl1- site, Cl1- is bonded to four equivalent Na1+ and one Eu3+ atom to form distorted ClNa4Eu trigonal bipyramids that share corners with four equivalent ClNa4Eu square pyramids, corners with four equivalent ClNa4Eu trigonal bipyramids, corners with four equivalent ClNa2Eu2 trigonal pyramids, an edgeedge with one ClNa4Eu square pyramid, edges with four equivalent ClNa2Eu2 trigonal pyramids, and a faceface with one ClNa4Eu square pyramid. In the fourth Cl1- site, Cl1- is bonded to two equivalent Na1+ and two equivalent Eu3+ atoms to form distorted ClNa2Eu2 trigonal pyramids that share corners with four equivalent ClNa4Eu square pyramids, corners with two equivalent ClNa4Eu trigonal bipyramids, corners with six equivalent ClNa2Eu2 trigonal pyramids, an edgeedge with one ClNa4Eu square pyramid, edges with two equivalent ClNa4Eu trigonal bipyramids, and an edgeedge with one ClNa2Eu2 trigonal pyramid.},
doi = {10.17188/1277927},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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