Materials Data on CsEu2I5 by Materials Project

doi:10.17188/1204058

Title: Materials Data on CsEu2I5 by Materials Project

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Abstract

CsEu2I5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Cs–I bond distances ranging from 3.80–4.30 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 3.36–3.65 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 3.29–3.52 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to two equivalent Cs1+ and three Eu2+ atoms. In the second I1- site, I1- is bonded to two equivalent Cs1+ and three Eu2+ atoms to form distorted ICs2Eu3 trigonal bipyramids that share corners with four equivalent ICs2Eu3 trigonal bipyramids, corners with two equivalent IEu4 trigonal pyramids, and edges with two equivalent IEu4 trigonal pyramids. In the third I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Eu2+ atoms. In the fourth I1- site, I1- ismore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-29613

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; CsEu2I5; Cs-Eu-I

OSTI Identifier:: 1204058

DOI:: https://doi.org/10.17188/1204058

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                    The Materials Project. Materials Data on CsEu2I5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204058.

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                    The Materials Project. Materials Data on CsEu2I5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204058

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                    The Materials Project. 2020.  
"Materials Data on CsEu2I5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204058.  https://www.osti.gov/servlets/purl/1204058. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1204058,

  title        = {Materials Data on CsEu2I5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsEu2I5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Cs–I bond distances ranging from 3.80–4.30 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 3.36–3.65 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 3.29–3.52 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to two equivalent Cs1+ and three Eu2+ atoms. In the second I1- site, I1- is bonded to two equivalent Cs1+ and three Eu2+ atoms to form distorted ICs2Eu3 trigonal bipyramids that share corners with four equivalent ICs2Eu3 trigonal bipyramids, corners with two equivalent IEu4 trigonal pyramids, and edges with two equivalent IEu4 trigonal pyramids. In the third I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Eu2+ atoms. In the fourth I1- site, I1- is bonded to four Eu2+ atoms to form distorted IEu4 trigonal pyramids that share corners with two equivalent ICs2Eu3 trigonal bipyramids, corners with two equivalent IEu4 trigonal pyramids, edges with two equivalent ICs2Eu3 trigonal bipyramids, and an edgeedge with one IEu4 trigonal pyramid. In the fifth I1- site, I1- is bonded in a 5-coordinate geometry to two equivalent Cs1+ and three Eu2+ atoms.},

  doi          = {10.17188/1204058},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1204058

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