Materials Data on BaNdO3 by Materials Project

doi:10.17188/1289336

Title: Materials Data on BaNdO3 by Materials Project

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Abstract

BaNdO3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ba is bonded in a distorted trigonal planar geometry to nine equivalent O atoms. There are three shorter (2.69 Å) and six longer (3.23 Å) Ba–O bond lengths. Nd is bonded to six equivalent O atoms to form corner-sharing NdO6 octahedra. The corner-sharing octahedral tilt angles are 27°. All Nd–O bond lengths are 2.34 Å. O is bonded in a 5-coordinate geometry to three equivalent Ba and two equivalent Nd atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-754307

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; BaNdO3; Ba-Nd-O

OSTI Identifier:: 1289336

DOI:: https://doi.org/10.17188/1289336

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                    The Materials Project. Materials Data on BaNdO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289336.

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                    The Materials Project. Materials Data on BaNdO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289336

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                    The Materials Project. 2020.  
"Materials Data on BaNdO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289336.  https://www.osti.gov/servlets/purl/1289336. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1289336,

  title        = {Materials Data on BaNdO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaNdO3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ba is bonded in a distorted trigonal planar geometry to nine equivalent O atoms. There are three shorter (2.69 Å) and six longer (3.23 Å) Ba–O bond lengths. Nd is bonded to six equivalent O atoms to form corner-sharing NdO6 octahedra. The corner-sharing octahedral tilt angles are 27°. All Nd–O bond lengths are 2.34 Å. O is bonded in a 5-coordinate geometry to three equivalent Ba and two equivalent Nd atoms.},

  doi          = {10.17188/1289336},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1289336

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