Materials Data on Eu3NbO7 by Materials Project

doi:10.17188/1290652

Title: Materials Data on Eu3NbO7 by Materials Project

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Abstract

Eu3NbO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with two equivalent NbO6 octahedra, corners with three equivalent EuO7 pentagonal bipyramids, edges with two equivalent NbO6 octahedra, and edges with two equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 45°. There are a spread of Eu–O bond distances ranging from 2.26–2.80 Å. In the second Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.42 Å) and four longer (2.67 Å) Eu–O bond lengths. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with two equivalent NbO6 octahedra, corners with four equivalent EuO7 pentagonal bipyramids, and edges with four equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 25°. There are two shorter (1.99 Å) and four longer (2.02 Å) Nb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra. In themore »« less

Authors:: The Materials Project

Publication Date:: 2020-06-05

Other Number(s):: mp-756886

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; Eu3NbO7; Eu-Nb-O

OSTI Identifier:: 1290652

DOI:: https://doi.org/10.17188/1290652

Citation Formats


                    The Materials Project. Materials Data on Eu3NbO7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290652.

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                    The Materials Project. Materials Data on Eu3NbO7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290652

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                    The Materials Project. 2020.  
"Materials Data on Eu3NbO7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290652.  https://www.osti.gov/servlets/purl/1290652. Pub date:Fri Jun 05 00:00:00 EDT 2020

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@article{osti_1290652,

  title        = {Materials Data on Eu3NbO7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Eu3NbO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with two equivalent NbO6 octahedra, corners with three equivalent EuO7 pentagonal bipyramids, edges with two equivalent NbO6 octahedra, and edges with two equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 45°. There are a spread of Eu–O bond distances ranging from 2.26–2.80 Å. In the second Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.42 Å) and four longer (2.67 Å) Eu–O bond lengths. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with two equivalent NbO6 octahedra, corners with four equivalent EuO7 pentagonal bipyramids, and edges with four equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 25°. There are two shorter (1.99 Å) and four longer (2.02 Å) Nb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Eu3+ and one Nb5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Eu3+ and two equivalent Nb5+ atoms.},

  doi          = {10.17188/1290652},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1290652

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