Materials Data on KEuTiO4 by Materials Project

doi:10.17188/1677025

Title: Materials Data on KEuTiO4 by Materials Project

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Abstract

KEuTiO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.74–3.32 Å. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.27–2.79 Å. Ti4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.77–2.47 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Eu3+ and one Ti4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to five equivalent K1+ and one Ti4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, two equivalent Eu3+, and two equivalent Ti4+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+, two equivalent Eu3+, and two equivalent Ti4+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-06-05

Other Number(s):: mp-1211712

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; KEuTiO4; Eu-K-O-Ti

OSTI Identifier:: 1677025

DOI:: https://doi.org/10.17188/1677025

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                    The Materials Project. Materials Data on KEuTiO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1677025.

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                    The Materials Project. Materials Data on KEuTiO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1677025

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                    The Materials Project. 2020.  
"Materials Data on KEuTiO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1677025.  https://www.osti.gov/servlets/purl/1677025. Pub date:Fri Jun 05 00:00:00 EDT 2020

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@article{osti_1677025,

  title        = {Materials Data on KEuTiO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KEuTiO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.74–3.32 Å. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.27–2.79 Å. Ti4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.77–2.47 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Eu3+ and one Ti4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to five equivalent K1+ and one Ti4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, two equivalent Eu3+, and two equivalent Ti4+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+, two equivalent Eu3+, and two equivalent Ti4+ atoms.},

  doi          = {10.17188/1677025},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1677025

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