Materials Data on Eu3Ti2O7 by Materials Project

doi:10.17188/1759678

Title: Materials Data on Eu3Ti2O7 by Materials Project

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Abstract

Eu3Ti2O7 crystallizes in the tetragonal I4/mmm 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 2.40–2.79 Å. In the second Eu2+ site, Eu2+ is bonded to twelve O2- atoms to form EuO12 cuboctahedra that share corners with four equivalent EuO12 cuboctahedra, faces with four equivalent EuO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. There are eight shorter (2.77 Å) and four longer (2.78 Å) Eu–O bond lengths. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with five equivalent TiO6 octahedra and faces with four equivalent EuO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Ti–O bond distances ranging from 1.96–2.01 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four Eu2+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded to five equivalent Eu2+ and one Ti4+ atom to form a mixture of distorted edge and corner-sharing OEu5Ti octahedra. The corner-sharing octahedralmore »« less

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1212973

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; Eu3Ti2O7; Eu-O-Ti

OSTI Identifier:: 1759678

DOI:: https://doi.org/10.17188/1759678

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                    The Materials Project. Materials Data on Eu3Ti2O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1759678.

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                    The Materials Project. Materials Data on Eu3Ti2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1759678

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                    The Materials Project. 2020.  
"Materials Data on Eu3Ti2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1759678.  https://www.osti.gov/servlets/purl/1759678. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1759678,

  title        = {Materials Data on Eu3Ti2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Eu3Ti2O7 crystallizes in the tetragonal I4/mmm 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 2.40–2.79 Å. In the second Eu2+ site, Eu2+ is bonded to twelve O2- atoms to form EuO12 cuboctahedra that share corners with four equivalent EuO12 cuboctahedra, faces with four equivalent EuO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. There are eight shorter (2.77 Å) and four longer (2.78 Å) Eu–O bond lengths. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with five equivalent TiO6 octahedra and faces with four equivalent EuO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Ti–O bond distances ranging from 1.96–2.01 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four Eu2+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded to five equivalent Eu2+ and one Ti4+ atom to form a mixture of distorted edge and corner-sharing OEu5Ti octahedra. The corner-sharing octahedral tilt angles are 11°. In the third O2- site, O2- is bonded in a distorted linear geometry to four equivalent Eu2+ and two equivalent Ti4+ atoms.},

  doi          = {10.17188/1759678},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1759678

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