Materials Data on KEuF4 by Materials Project

doi:10.17188/1687957

Title: Materials Data on KEuF4 by Materials Project

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Abstract

KEuF4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of K–F bond distances ranging from 2.62–2.76 Å. Eu3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Eu–F bond distances ranging from 2.31–2.51 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent K1+ and two equivalent Eu3+ atoms to form distorted FK2Eu2 tetrahedra that share corners with ten FK2Eu2 tetrahedra and an edgeedge with one FKEu3 tetrahedra. In the second F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Eu3+ atoms. In the third F1- site, F1- is bonded to one K1+ and three equivalent Eu3+ atoms to form FKEu3 tetrahedra that share corners with eight FK2Eu2 tetrahedra and edges with three FKEu3 tetrahedra. In the fourth F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Eu3+ atom.

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-1211862

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; KEuF4; Eu-F-K

OSTI Identifier:: 1687957

DOI:: https://doi.org/10.17188/1687957

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                    The Materials Project. Materials Data on KEuF4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1687957.

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                    The Materials Project. Materials Data on KEuF4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1687957

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                    The Materials Project. 2020.  
"Materials Data on KEuF4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1687957.  https://www.osti.gov/servlets/purl/1687957. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1687957,

  title        = {Materials Data on KEuF4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KEuF4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of K–F bond distances ranging from 2.62–2.76 Å. Eu3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Eu–F bond distances ranging from 2.31–2.51 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent K1+ and two equivalent Eu3+ atoms to form distorted FK2Eu2 tetrahedra that share corners with ten FK2Eu2 tetrahedra and an edgeedge with one FKEu3 tetrahedra. In the second F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Eu3+ atoms. In the third F1- site, F1- is bonded to one K1+ and three equivalent Eu3+ atoms to form FKEu3 tetrahedra that share corners with eight FK2Eu2 tetrahedra and edges with three FKEu3 tetrahedra. In the fourth F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Eu3+ atom.},

  doi          = {10.17188/1687957},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1687957

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