Materials Data on Ba2PrNbO6 by Materials Project

doi:10.17188/1267560

Title: Materials Data on Ba2PrNbO6 by Materials Project

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Abstract

Ba2PrNbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded in a 3-coordinate geometry to nine equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.74–3.13 Å. Pr3+ is bonded to six equivalent O2- atoms to form PrO6 octahedra that share corners with six equivalent NbO6 octahedra. The corner-sharing octahedral tilt angles are 19°. All Pr–O bond lengths are 2.38 Å. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent PrO6 octahedra. The corner-sharing octahedral tilt angles are 19°. All Nb–O bond lengths are 2.04 Å. O2- is bonded in a 5-coordinate geometry to three equivalent Ba2+, one Pr3+, and one Nb5+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-552176

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; Ba2PrNbO6; Ba-Nb-O-Pr

OSTI Identifier:: 1267560

DOI:: https://doi.org/10.17188/1267560

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                    The Materials Project. Materials Data on Ba2PrNbO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267560.

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                    The Materials Project. Materials Data on Ba2PrNbO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1267560

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                    The Materials Project. 2020.  
"Materials Data on Ba2PrNbO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1267560.  https://www.osti.gov/servlets/purl/1267560. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1267560,

  title        = {Materials Data on Ba2PrNbO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba2PrNbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded in a 3-coordinate geometry to nine equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.74–3.13 Å. Pr3+ is bonded to six equivalent O2- atoms to form PrO6 octahedra that share corners with six equivalent NbO6 octahedra. The corner-sharing octahedral tilt angles are 19°. All Pr–O bond lengths are 2.38 Å. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent PrO6 octahedra. The corner-sharing octahedral tilt angles are 19°. All Nb–O bond lengths are 2.04 Å. O2- is bonded in a 5-coordinate geometry to three equivalent Ba2+, one Pr3+, and one Nb5+ atom.},

  doi          = {10.17188/1267560},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1267560

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