Materials Data on NdVO3 by Materials Project

doi:10.17188/1194137

Title: Materials Data on NdVO3 by Materials Project

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Abstract

NdVO3 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 NdO12 cuboctahedra that share corners with twelve equivalent NdO12 cuboctahedra, faces with six equivalent NdO12 cuboctahedra, and faces with eight equivalent VO6 octahedra. All Nd–O bond lengths are 2.77 Å. V3+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with eight equivalent NdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All V–O bond lengths are 1.96 Å. O2- is bonded in a distorted linear geometry to four equivalent Nd3+ and two equivalent V3+ atoms.

Authors:: The Materials Project

Publication Date:: Sat Feb 15 00:00:00 EST 2014

Other Number(s):: mp-19253

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; NdVO3; Nd-O-V

OSTI Identifier:: 1194137

DOI:: https://doi.org/10.17188/1194137

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                    The Materials Project. Materials Data on NdVO3 by Materials Project.  United States: N. p., 2014. 
        Web.  doi:10.17188/1194137.

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                    The Materials Project. Materials Data on NdVO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1194137

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                    The Materials Project. 2014.  
"Materials Data on NdVO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1194137.  https://www.osti.gov/servlets/purl/1194137. Pub date:Sat Feb 15 00:00:00 EST 2014

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@article{osti_1194137,

  title        = {Materials Data on NdVO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdVO3 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 NdO12 cuboctahedra that share corners with twelve equivalent NdO12 cuboctahedra, faces with six equivalent NdO12 cuboctahedra, and faces with eight equivalent VO6 octahedra. All Nd–O bond lengths are 2.77 Å. V3+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with eight equivalent NdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All V–O bond lengths are 1.96 Å. O2- is bonded in a distorted linear geometry to four equivalent Nd3+ and two equivalent V3+ atoms.},

  doi          = {10.17188/1194137},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Feb 15 00:00:00 EST 2014},

  month        = {Sat Feb 15 00:00:00 EST 2014}

}

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DOI: https://doi.org/10.17188/1194137

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