Materials Data on NdNbO4 by Materials Project

doi:10.17188/1207600

Title: Materials Data on NdNbO4 by Materials Project

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Abstract

NdNbO4 is Zircon-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.45–2.49 Å. Nb5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.88 Å) and two longer (1.92 Å) Nb–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and one Nb5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Nd3+ and one Nb5+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-3901

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; NdNbO4; Nb-Nd-O

OSTI Identifier:: 1207600

DOI:: https://doi.org/10.17188/1207600

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                    The Materials Project. Materials Data on NdNbO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207600.

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                    The Materials Project. Materials Data on NdNbO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207600

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                    The Materials Project. 2020.  
"Materials Data on NdNbO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207600.  https://www.osti.gov/servlets/purl/1207600. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1207600,

  title        = {Materials Data on NdNbO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdNbO4 is Zircon-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.45–2.49 Å. Nb5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.88 Å) and two longer (1.92 Å) Nb–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and one Nb5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Nd3+ and one Nb5+ atom.},

  doi          = {10.17188/1207600},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1207600

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