Materials Data on TbNbO4 by Materials Project

doi:10.17188/1306784

Title: Materials Data on TbNbO4 by Materials Project

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Abstract

TbNbO4 is Zircon-like structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are six shorter (2.38 Å) and two longer (2.39 Å) Tb–O bond lengths. Nb5+ is bonded in a distorted tetrahedral geometry to four O2- atoms. All Nb–O bond lengths are 1.91 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tb3+ and one Nb5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tb3+ and one Nb5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tb3+ and one Nb5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tb3+ and one Nb5+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-780033

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; TbNbO4; Nb-O-Tb

OSTI Identifier:: 1306784

DOI:: https://doi.org/10.17188/1306784

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                    The Materials Project. Materials Data on TbNbO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1306784.

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                    The Materials Project. Materials Data on TbNbO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1306784

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                    The Materials Project. 2020.  
"Materials Data on TbNbO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1306784.  https://www.osti.gov/servlets/purl/1306784. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1306784,

  title        = {Materials Data on TbNbO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TbNbO4 is Zircon-like structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are six shorter (2.38 Å) and two longer (2.39 Å) Tb–O bond lengths. Nb5+ is bonded in a distorted tetrahedral geometry to four O2- atoms. All Nb–O bond lengths are 1.91 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tb3+ and one Nb5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tb3+ and one Nb5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tb3+ and one Nb5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tb3+ and one Nb5+ atom.},

  doi          = {10.17188/1306784},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1306784

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