Materials Data on NdBiO3 by Materials Project

doi:10.17188/1314627

Title: Materials Data on NdBiO3 by Materials Project

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Abstract

NdBiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd3+ is bonded to twelve equivalent O2- atoms to form distorted NdO12 cuboctahedra that share corners with twelve equivalent NdO12 cuboctahedra, faces with six equivalent NdO12 cuboctahedra, and faces with eight equivalent BiO6 octahedra. All Nd–O bond lengths are 3.14 Å. Bi3+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with six equivalent BiO6 octahedra and faces with eight equivalent NdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–O bond lengths are 2.22 Å. O2- is bonded in a linear geometry to four equivalent Nd3+ and two equivalent Bi3+ atoms.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-974740

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; NdBiO3; Bi-Nd-O

OSTI Identifier:: 1314627

DOI:: https://doi.org/10.17188/1314627

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                    The Materials Project. Materials Data on NdBiO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314627.

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                    The Materials Project. Materials Data on NdBiO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1314627

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                    The Materials Project. 2020.  
"Materials Data on NdBiO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1314627.  https://www.osti.gov/servlets/purl/1314627. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1314627,

  title        = {Materials Data on NdBiO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdBiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd3+ is bonded to twelve equivalent O2- atoms to form distorted NdO12 cuboctahedra that share corners with twelve equivalent NdO12 cuboctahedra, faces with six equivalent NdO12 cuboctahedra, and faces with eight equivalent BiO6 octahedra. All Nd–O bond lengths are 3.14 Å. Bi3+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with six equivalent BiO6 octahedra and faces with eight equivalent NdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–O bond lengths are 2.22 Å. O2- is bonded in a linear geometry to four equivalent Nd3+ and two equivalent Bi3+ atoms.},

  doi          = {10.17188/1314627},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1314627

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