Materials Data on NaEu2Cl6 by Materials Project

doi:10.17188/1283201

Title: Materials Data on NaEu2Cl6 by Materials Project

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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 »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

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

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                    The Materials Project. Materials Data on NaEu2Cl6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1283201.

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                    The Materials Project. Materials Data on NaEu2Cl6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1283201

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                    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

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@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}

}

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DOI: https://doi.org/10.17188/1283201

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