Materials Data on KEuPSe4 by Materials Project

doi:10.17188/1278932

Title: Materials Data on KEuPSe4 by Materials Project

Dataset
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Abstract

KEuPSe4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of K–Se bond distances ranging from 3.48–3.66 Å. Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Eu–Se bond distances ranging from 3.14–3.66 Å. P5+ is bonded in a tetrahedral geometry to four Se2- atoms. There are one shorter (2.23 Å) and three longer (2.25 Å) P–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent K1+, one Eu2+, and one P5+ atom to form distorted corner-sharing SeK3EuP trigonal bipyramids. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent K1+, two equivalent Eu2+, and one P5+ atom. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to one K1+, three equivalent Eu2+, and one P5+ atom.

Authors:: The Materials Project

Publication Date:: Mon Aug 03 00:00:00 EDT 2020

Other Number(s):: mp-628715

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; KEuPSe4; Eu-K-P-Se

OSTI Identifier:: 1278932

DOI:: https://doi.org/10.17188/1278932

Citation Formats


                    The Materials Project. Materials Data on KEuPSe4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1278932.

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                    The Materials Project. Materials Data on KEuPSe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1278932

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                    The Materials Project. 2020.  
"Materials Data on KEuPSe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1278932.  https://www.osti.gov/servlets/purl/1278932. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1278932,

  title        = {Materials Data on KEuPSe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KEuPSe4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of K–Se bond distances ranging from 3.48–3.66 Å. Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Eu–Se bond distances ranging from 3.14–3.66 Å. P5+ is bonded in a tetrahedral geometry to four Se2- atoms. There are one shorter (2.23 Å) and three longer (2.25 Å) P–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent K1+, one Eu2+, and one P5+ atom to form distorted corner-sharing SeK3EuP trigonal bipyramids. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent K1+, two equivalent Eu2+, and one P5+ atom. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to one K1+, three equivalent Eu2+, and one P5+ atom.},

  doi          = {10.17188/1278932},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Aug 03 00:00:00 EDT 2020},

  month        = {Mon Aug 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1278932

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