Materials Data on SrEu2Fe2O7 by Materials Project

doi:10.17188/1268413

Title: Materials Data on SrEu2Fe2O7 by Materials Project

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Abstract

SrEu2Fe2O7 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent SrO12 cuboctahedra, faces with four equivalent SrO12 cuboctahedra, and faces with eight equivalent FeO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.62–3.12 Å. Eu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.31–2.61 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with five equivalent FeO6 octahedra and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 6–24°. There are a spread of Fe–O bond distances ranging from 1.97–2.14 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to three equivalent Eu3+ and one Fe3+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent Eu3+, and two equivalent Fe3+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Sr2+ and two equivalent Fe3+ atoms. In themore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-603128

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; SrEu2Fe2O7; Eu-Fe-O-Sr

OSTI Identifier:: 1268413

DOI:: https://doi.org/10.17188/1268413

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                    The Materials Project. Materials Data on SrEu2Fe2O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1268413.

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                    The Materials Project. Materials Data on SrEu2Fe2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1268413

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                    The Materials Project. 2020.  
"Materials Data on SrEu2Fe2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1268413.  https://www.osti.gov/servlets/purl/1268413. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1268413,

  title        = {Materials Data on SrEu2Fe2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrEu2Fe2O7 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent SrO12 cuboctahedra, faces with four equivalent SrO12 cuboctahedra, and faces with eight equivalent FeO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.62–3.12 Å. Eu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.31–2.61 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with five equivalent FeO6 octahedra and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 6–24°. There are a spread of Fe–O bond distances ranging from 1.97–2.14 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to three equivalent Eu3+ and one Fe3+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent Eu3+, and two equivalent Fe3+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Sr2+ and two equivalent Fe3+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, two equivalent Eu3+, and two equivalent Fe3+ atoms. In the fifth O2- site, O2- is bonded to two equivalent Sr2+, two equivalent Eu3+, and two equivalent Fe3+ atoms to form distorted edge-sharing OSr2Eu2Fe2 octahedra.},

  doi          = {10.17188/1268413},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1268413

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