Materials Data on NaEuF4 by Materials Project

doi:10.17188/1698618

Title: Materials Data on NaEuF4 by Materials Project

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Abstract

NaEuF4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Na–F bond distances ranging from 2.45–2.65 Å. In the second Na1+ site, Na1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are a spread of Na–F bond distances ranging from 2.32–2.49 Å. In the third Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Na–F bond distances ranging from 2.32–2.61 Å. There are three inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Eu–F bond distances ranging from 2.37–2.48 Å. In the second Eu3+ site, Eu3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Eu–F bond distances ranging from 2.37–2.51 Å. In the third Eu3+ site, Eu3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Eu–F bond distances ranging from 2.40–2.45 Å. There are twelve inequivalent F1- sites.more »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1221406

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; NaEuF4; Eu-F-Na

OSTI Identifier:: 1698618

DOI:: https://doi.org/10.17188/1698618

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                    The Materials Project. Materials Data on NaEuF4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1698618.

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                    The Materials Project. Materials Data on NaEuF4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1698618

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                    The Materials Project. 2020.  
"Materials Data on NaEuF4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1698618.  https://www.osti.gov/servlets/purl/1698618. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1698618,

  title        = {Materials Data on NaEuF4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaEuF4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Na–F bond distances ranging from 2.45–2.65 Å. In the second Na1+ site, Na1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are a spread of Na–F bond distances ranging from 2.32–2.49 Å. In the third Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Na–F bond distances ranging from 2.32–2.61 Å. There are three inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Eu–F bond distances ranging from 2.37–2.48 Å. In the second Eu3+ site, Eu3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Eu–F bond distances ranging from 2.37–2.51 Å. In the third Eu3+ site, Eu3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Eu–F bond distances ranging from 2.40–2.45 Å. There are twelve inequivalent F1- sites. In the first F1- site, F1- is bonded to one Na1+ and three Eu3+ atoms to form a mixture of distorted corner and edge-sharing FNaEu3 tetrahedra. In the second F1- site, F1- is bonded to two Na1+ and two Eu3+ atoms to form a mixture of corner and edge-sharing FNa2Eu2 tetrahedra. In the third F1- site, F1- is bonded to two Na1+ and two Eu3+ atoms to form a mixture of distorted corner and edge-sharing FNa2Eu2 tetrahedra. In the fourth F1- site, F1- is bonded to one Na1+ and three Eu3+ atoms to form distorted FNaEu3 tetrahedra that share corners with seventeen FNaEu3 tetrahedra and edges with six FNa2Eu2 tetrahedra. In the fifth F1- site, F1- is bonded to one Na1+ and three Eu3+ atoms to form distorted FNaEu3 tetrahedra that share corners with seventeen FNaEu3 tetrahedra and edges with six FNa2Eu2 tetrahedra. In the sixth F1- site, F1- is bonded to two Na1+ and two Eu3+ atoms to form distorted FNa2Eu2 tetrahedra that share corners with seventeen FNa2Eu2 tetrahedra and edges with six FNaEu3 tetrahedra. In the seventh F1- site, F1- is bonded to two Na1+ and two Eu3+ atoms to form a mixture of distorted corner and edge-sharing FNa2Eu2 tetrahedra. In the eighth F1- site, F1- is bonded to two Na1+ and two Eu3+ atoms to form distorted FNa2Eu2 tetrahedra that share corners with seventeen FNaEu3 tetrahedra and edges with six FNa2Eu2 tetrahedra. In the ninth F1- site, F1- is bonded to two Na1+ and two Eu3+ atoms to form a mixture of distorted corner and edge-sharing FNa2Eu2 tetrahedra. In the tenth F1- site, F1- is bonded to two Na1+ and two Eu3+ atoms to form distorted FNa2Eu2 tetrahedra that share corners with seventeen FNaEu3 tetrahedra and edges with six FNa2Eu2 tetrahedra. In the eleventh F1- site, F1- is bonded to two Na1+ and two Eu3+ atoms to form a mixture of distorted corner and edge-sharing FNa2Eu2 tetrahedra. In the twelfth F1- site, F1- is bonded to two Na1+ and two Eu3+ atoms to form distorted FNa2Eu2 tetrahedra that share corners with seventeen FNa2Eu2 tetrahedra and edges with six FNaEu3 tetrahedra.},

  doi          = {10.17188/1698618},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1698618

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