Materials Data on Eu2TiO4 by Materials Project

doi:10.17188/1355554

Title: Materials Data on Eu2TiO4 by Materials Project

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Abstract

Eu2TiO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.39–2.78 Å. Ti4+ is bonded to six O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There is four shorter (1.96 Å) and two longer (2.03 Å) Ti–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Eu2+ and two equivalent Ti4+ atoms to form a mixture of distorted corner, edge, and face-sharing OEu4Ti2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°. In the second O2- site, O2- is bonded to five equivalent Eu2+ and one Ti4+ atom to form distorted OEu5Ti octahedra that share corners with seventeen OEu4Ti2 octahedra, edges with eight equivalent OEu5Ti octahedra, and faces with four equivalent OEu4Ti2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-1025200

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; Eu2TiO4; Eu-O-Ti

OSTI Identifier:: 1355554

DOI:: https://doi.org/10.17188/1355554

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                    The Materials Project. Materials Data on Eu2TiO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1355554.

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                    The Materials Project. Materials Data on Eu2TiO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1355554

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                    The Materials Project. 2020.  
"Materials Data on Eu2TiO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1355554.  https://www.osti.gov/servlets/purl/1355554. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1355554,

  title        = {Materials Data on Eu2TiO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Eu2TiO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.39–2.78 Å. Ti4+ is bonded to six O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There is four shorter (1.96 Å) and two longer (2.03 Å) Ti–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Eu2+ and two equivalent Ti4+ atoms to form a mixture of distorted corner, edge, and face-sharing OEu4Ti2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°. In the second O2- site, O2- is bonded to five equivalent Eu2+ and one Ti4+ atom to form distorted OEu5Ti octahedra that share corners with seventeen OEu4Ti2 octahedra, edges with eight equivalent OEu5Ti octahedra, and faces with four equivalent OEu4Ti2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°.},

  doi          = {10.17188/1355554},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1355554

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