Materials Data on Eu3NbO7 by Materials Project

doi:10.17188/1263053

Title: Materials Data on Eu3NbO7 by Materials Project

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Abstract

Eu3NbO7 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.38–2.74 Å. In the second Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with two equivalent NbO6 octahedra, a cornercorner with one EuO7 pentagonal bipyramid, edges with two equivalent NbO6 octahedra, and edges with three equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 45–49°. There are a spread of Eu–O bond distances ranging from 2.26–2.60 Å. 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 36°. There are two shorter (1.99 Å) and four longer (2.03 Å) Nb–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Eu3+ and one Nb5+ atom. In the second O2- site, O2-more »« less

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-510674

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:: 1263053

DOI:: https://doi.org/10.17188/1263053

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                    The Materials Project. Materials Data on Eu3NbO7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1263053.

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                    The Materials Project. Materials Data on Eu3NbO7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1263053

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                    The Materials Project. 2020.  
"Materials Data on Eu3NbO7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1263053.  https://www.osti.gov/servlets/purl/1263053. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1263053,

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

  author       = {The Materials Project},

  abstractNote = {Eu3NbO7 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.38–2.74 Å. In the second Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with two equivalent NbO6 octahedra, a cornercorner with one EuO7 pentagonal bipyramid, edges with two equivalent NbO6 octahedra, and edges with three equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 45–49°. There are a spread of Eu–O bond distances ranging from 2.26–2.60 Å. 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 36°. There are two shorter (1.99 Å) and four longer (2.03 Å) Nb–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Eu3+ and one Nb5+ atom. 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 to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra. In the fourth O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Eu3+ and two equivalent Nb5+ atoms.},

  doi          = {10.17188/1263053},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1263053

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