Materials Data on Eu4B4O11F2 by Materials Project

doi:10.17188/1751096

Title: Materials Data on Eu4B4O11F2 by Materials Project

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Abstract

Eu4B4O11F2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 10-coordinate geometry to nine O2- and one F1- atom. There are a spread of Eu–O bond distances ranging from 2.41–2.84 Å. The Eu–F bond length is 2.48 Å. In the second Eu3+ site, Eu3+ is bonded in a 9-coordinate geometry to six O2- and three equivalent F1- atoms. There are a spread of Eu–O bond distances ranging from 2.38–2.52 Å. There are a spread of Eu–F bond distances ranging from 2.53–2.83 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.44–1.54 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.37–1.40 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Eu3+ and two B3+ atoms. In the second O2- site, O2- is bondedmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1199066

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; Eu4B4O11F2; B-Eu-F-O

OSTI Identifier:: 1751096

DOI:: https://doi.org/10.17188/1751096

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                    The Materials Project. Materials Data on Eu4B4O11F2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751096.

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                    The Materials Project. Materials Data on Eu4B4O11F2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1751096

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                    The Materials Project. 2020.  
"Materials Data on Eu4B4O11F2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1751096.  https://www.osti.gov/servlets/purl/1751096. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1751096,

  title        = {Materials Data on Eu4B4O11F2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Eu4B4O11F2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 10-coordinate geometry to nine O2- and one F1- atom. There are a spread of Eu–O bond distances ranging from 2.41–2.84 Å. The Eu–F bond length is 2.48 Å. In the second Eu3+ site, Eu3+ is bonded in a 9-coordinate geometry to six O2- and three equivalent F1- atoms. There are a spread of Eu–O bond distances ranging from 2.38–2.52 Å. There are a spread of Eu–F bond distances ranging from 2.53–2.83 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.44–1.54 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.37–1.40 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Eu3+ and two B3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Eu3+ and one B3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Eu3+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Eu3+ and two equivalent B3+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three Eu3+ and one B3+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three Eu3+ and one B3+ atom. F1- is bonded in a 4-coordinate geometry to four Eu3+ atoms.},

  doi          = {10.17188/1751096},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1751096

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