Materials Data on YbSr2NbO6 by Materials Project

doi:10.17188/1186026

Title: Materials Data on YbSr2NbO6 by Materials Project

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Abstract

Sr2YbNbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–3.02 Å. Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with six equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 27–31°. There are a spread of Yb–O bond distances ranging from 2.29–2.31 Å. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six equivalent YbO6 octahedra. The corner-sharing octahedra tilt angles range from 27–31°. There are four shorter (2.02 Å) and two longer (2.03 Å) Nb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, one Yb3+, and one Nb5+ atom to form distorted corner-sharing OSr2YbNb tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Yb3+, and one Nb5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Yb3+, and one Nb5+ atom.

Authors:: The Materials Project

Publication Date:: Fri Jul 21 00:00:00 EDT 2017

Other Number(s):: mp-10093

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; YbSr2NbO6; Nb-O-Sr-Yb

OSTI Identifier:: 1186026

DOI:: https://doi.org/10.17188/1186026

Citation Formats


                    The Materials Project. Materials Data on YbSr2NbO6 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1186026.

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                    The Materials Project. Materials Data on YbSr2NbO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1186026

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                    The Materials Project. 2017.  
"Materials Data on YbSr2NbO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1186026.  https://www.osti.gov/servlets/purl/1186026. Pub date:Fri Jul 21 00:00:00 EDT 2017

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@article{osti_1186026,

  title        = {Materials Data on YbSr2NbO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2YbNbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–3.02 Å. Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with six equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 27–31°. There are a spread of Yb–O bond distances ranging from 2.29–2.31 Å. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six equivalent YbO6 octahedra. The corner-sharing octahedra tilt angles range from 27–31°. There are four shorter (2.02 Å) and two longer (2.03 Å) Nb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, one Yb3+, and one Nb5+ atom to form distorted corner-sharing OSr2YbNb tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Yb3+, and one Nb5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Yb3+, and one Nb5+ atom.},

  doi          = {10.17188/1186026},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 21 00:00:00 EDT 2017},

  month        = {Fri Jul 21 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1186026

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