Materials Data on BaNdO3 by Materials Project

doi:10.17188/1290251

Title: Materials Data on BaNdO3 by Materials Project

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Abstract

BaNdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded to twelve equivalent O atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent NdO6 octahedra. All Ba–O bond lengths are 3.22 Å. Nd is bonded to six equivalent O atoms to form NdO6 octahedra that share corners with six equivalent NdO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nd–O bond lengths are 2.28 Å. O is bonded in a distorted linear geometry to four equivalent Ba and two equivalent Nd atoms.

Publication Date:: 2020-07-23

Other Number(s):: mp-755877

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Ba-Nd-O; BaNdO3; crystal structure

OSTI Identifier:: 1290251

DOI:: https://doi.org/10.17188/1290251

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                    Materials Data on BaNdO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290251.

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                    Materials Data on BaNdO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290251

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                    2020.  
"Materials Data on BaNdO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290251.  https://www.osti.gov/servlets/purl/1290251. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1290251,

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

  
  abstractNote = {BaNdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded to twelve equivalent O atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent NdO6 octahedra. All Ba–O bond lengths are 3.22 Å. Nd is bonded to six equivalent O atoms to form NdO6 octahedra that share corners with six equivalent NdO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nd–O bond lengths are 2.28 Å. O is bonded in a distorted linear geometry to four equivalent Ba and two equivalent Nd atoms.},

  doi          = {10.17188/1290251},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1290251

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