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Title: Materials Data on RbEu2I5 by Materials Project

Abstract

RbEu2I5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Rb–I bond distances ranging from 3.70–4.38 Å. There are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Eu–I bond distances ranging from 3.37–3.61 Å. In the second Eu2+ site, Eu2+ is bonded to seven I1- atoms to form distorted edge-sharing EuI7 pentagonal bipyramids. There are a spread of Eu–I bond distances ranging from 3.26–3.49 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded to two equivalent Rb1+ and three Eu2+ atoms to form distorted IRb2Eu3 trigonal bipyramids that share corners with four equivalent IRb2Eu3 square pyramids, corners with four equivalent IRb2Eu3 trigonal bipyramids, corners with two equivalent IEu4 trigonal pyramids, an edgeedge with one IRb2Eu3 square pyramid, edges with two equivalent IEu4 trigonal pyramids, and a faceface with one IRb2Eu3 square pyramid. In the second I1- site, I1- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three Eu2+ atoms. In the third I1- site, I1- ismore » bonded to two equivalent Rb1+ and three Eu2+ atoms to form distorted IRb2Eu3 square pyramids that share corners with four equivalent IRb2Eu3 trigonal bipyramids, corners with four equivalent IEu4 trigonal pyramids, edges with two equivalent IRb2Eu3 square pyramids, an edgeedge with one IRb2Eu3 trigonal bipyramid, an edgeedge with one IEu4 trigonal pyramid, and a faceface with one IRb2Eu3 trigonal bipyramid. In the fourth I1- site, I1- is bonded to four Eu2+ atoms to form distorted IEu4 trigonal pyramids that share corners with four equivalent IRb2Eu3 square pyramids, corners with two equivalent IRb2Eu3 trigonal bipyramids, corners with two equivalent IEu4 trigonal pyramids, an edgeedge with one IRb2Eu3 square pyramid, edges with two equivalent IRb2Eu3 trigonal bipyramids, and an edgeedge with one IEu4 trigonal pyramid. In the fifth I1- site, I1- is bonded in a 4-coordinate geometry to three equivalent Rb1+ and two equivalent Eu2+ atoms.« less

Publication Date:
Other Number(s):
mp-29612
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; RbEu2I5; Eu-I-Rb
OSTI Identifier:
1204057
DOI:
https://doi.org/10.17188/1204057

Citation Formats

The Materials Project. Materials Data on RbEu2I5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204057.
The Materials Project. Materials Data on RbEu2I5 by Materials Project. United States. doi:https://doi.org/10.17188/1204057
The Materials Project. 2020. "Materials Data on RbEu2I5 by Materials Project". United States. doi:https://doi.org/10.17188/1204057. https://www.osti.gov/servlets/purl/1204057. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1204057,
title = {Materials Data on RbEu2I5 by Materials Project},
author = {The Materials Project},
abstractNote = {RbEu2I5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Rb–I bond distances ranging from 3.70–4.38 Å. There are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Eu–I bond distances ranging from 3.37–3.61 Å. In the second Eu2+ site, Eu2+ is bonded to seven I1- atoms to form distorted edge-sharing EuI7 pentagonal bipyramids. There are a spread of Eu–I bond distances ranging from 3.26–3.49 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded to two equivalent Rb1+ and three Eu2+ atoms to form distorted IRb2Eu3 trigonal bipyramids that share corners with four equivalent IRb2Eu3 square pyramids, corners with four equivalent IRb2Eu3 trigonal bipyramids, corners with two equivalent IEu4 trigonal pyramids, an edgeedge with one IRb2Eu3 square pyramid, edges with two equivalent IEu4 trigonal pyramids, and a faceface with one IRb2Eu3 square pyramid. In the second I1- site, I1- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three Eu2+ atoms. In the third I1- site, I1- is bonded to two equivalent Rb1+ and three Eu2+ atoms to form distorted IRb2Eu3 square pyramids that share corners with four equivalent IRb2Eu3 trigonal bipyramids, corners with four equivalent IEu4 trigonal pyramids, edges with two equivalent IRb2Eu3 square pyramids, an edgeedge with one IRb2Eu3 trigonal bipyramid, an edgeedge with one IEu4 trigonal pyramid, and a faceface with one IRb2Eu3 trigonal bipyramid. In the fourth I1- site, I1- is bonded to four Eu2+ atoms to form distorted IEu4 trigonal pyramids that share corners with four equivalent IRb2Eu3 square pyramids, corners with two equivalent IRb2Eu3 trigonal bipyramids, corners with two equivalent IEu4 trigonal pyramids, an edgeedge with one IRb2Eu3 square pyramid, edges with two equivalent IRb2Eu3 trigonal bipyramids, and an edgeedge with one IEu4 trigonal pyramid. In the fifth I1- site, I1- is bonded in a 4-coordinate geometry to three equivalent Rb1+ and two equivalent Eu2+ atoms.},
doi = {10.17188/1204057},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}