Materials Data on Eu5P3ClO12 by Materials Project

doi:10.17188/1280721

Title: Materials Data on Eu5P3ClO12 by Materials Project

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Abstract

Eu5P3O12Cl crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.60–2.86 Å. In the second Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Eu–O bond distances ranging from 2.45–2.85 Å. Both Eu–Cl bond lengths are 3.08 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.55–1.57 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Eu2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Eu2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Eu2+ and one P5+ atom. Cl1- is bonded to six equivalent Eu2+ atoms to form distorted face-sharing ClEu6 octahedra.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-647532

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; Eu5P3ClO12; Cl-Eu-O-P

OSTI Identifier:: 1280721

DOI:: https://doi.org/10.17188/1280721

Citation Formats


                    The Materials Project. Materials Data on Eu5P3ClO12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280721.

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                    The Materials Project. Materials Data on Eu5P3ClO12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280721

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                    The Materials Project. 2020.  
"Materials Data on Eu5P3ClO12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280721.  https://www.osti.gov/servlets/purl/1280721. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1280721,

  title        = {Materials Data on Eu5P3ClO12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Eu5P3O12Cl crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.60–2.86 Å. In the second Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Eu–O bond distances ranging from 2.45–2.85 Å. Both Eu–Cl bond lengths are 3.08 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.55–1.57 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Eu2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Eu2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Eu2+ and one P5+ atom. Cl1- is bonded to six equivalent Eu2+ atoms to form distorted face-sharing ClEu6 octahedra.},

  doi          = {10.17188/1280721},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1280721

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