Materials Data on Er2FeSbO7 by Materials Project

doi:10.17188/1724876

Title: Materials Data on Er2FeSbO7 by Materials Project

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Abstract

Er2FeSbO7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.19–2.47 Å. In the second Er3+ site, Er3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.23–2.48 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with two equivalent FeO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There is two shorter (1.98 Å) and four longer (2.00 Å) Fe–O bond length. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are four shorter (1.99 Å) and two longer (2.02 Å) Sb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Er3+ atoms to form OEr4 tetrahedra that share corners with sixteen OEr4 tetrahedramore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1225637

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; Er2FeSbO7; Er-Fe-O-Sb

OSTI Identifier:: 1724876

DOI:: https://doi.org/10.17188/1724876

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                    The Materials Project. Materials Data on Er2FeSbO7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1724876.

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                    The Materials Project. Materials Data on Er2FeSbO7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1724876

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                    The Materials Project. 2020.  
"Materials Data on Er2FeSbO7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1724876.  https://www.osti.gov/servlets/purl/1724876. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1724876,

  title        = {Materials Data on Er2FeSbO7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er2FeSbO7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.19–2.47 Å. In the second Er3+ site, Er3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.23–2.48 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with two equivalent FeO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There is two shorter (1.98 Å) and four longer (2.00 Å) Fe–O bond length. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are four shorter (1.99 Å) and two longer (2.02 Å) Sb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Er3+ atoms to form OEr4 tetrahedra that share corners with sixteen OEr4 tetrahedra and edges with six OEr2Fe2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Er3+ and two equivalent Fe3+ atoms to form a mixture of distorted edge and corner-sharing OEr2Fe2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Er3+ and two equivalent Sb5+ atoms to form a mixture of distorted edge and corner-sharing OEr2Sb2 tetrahedra. In the fourth O2- site, O2- is bonded to two Er3+, one Fe3+, and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OEr2FeSb tetrahedra.},

  doi          = {10.17188/1724876},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1724876

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