Materials Data on Nd4Re6O19 by Materials Project

doi:10.17188/1718492

Title: Materials Data on Nd4Re6O19 by Materials Project

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Abstract

Nd4Re6O19 crystallizes in the cubic I23 space group. The structure is three-dimensional. Nd3+ is bonded in a 10-coordinate geometry to seven O2- atoms. There are a spread of Nd–O bond distances ranging from 2.44–2.56 Å. Re+4.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are a spread of Re–O bond distances ranging from 1.99–2.03 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Nd3+ and two equivalent Re+4.33+ atoms. In the second O2- site, O2- is bonded in a tetrahedral geometry to four equivalent Nd3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Nd3+ and two equivalent Re+4.33+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1209945

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; Nd4Re6O19; Nd-O-Re

OSTI Identifier:: 1718492

DOI:: https://doi.org/10.17188/1718492

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                    The Materials Project. Materials Data on Nd4Re6O19 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1718492.

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                    The Materials Project. Materials Data on Nd4Re6O19 by Materials Project.  United States.  doi:https://doi.org/10.17188/1718492

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                    The Materials Project. 2020.  
"Materials Data on Nd4Re6O19 by Materials Project".  United States.  doi:https://doi.org/10.17188/1718492.  https://www.osti.gov/servlets/purl/1718492. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1718492,

  title        = {Materials Data on Nd4Re6O19 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nd4Re6O19 crystallizes in the cubic I23 space group. The structure is three-dimensional. Nd3+ is bonded in a 10-coordinate geometry to seven O2- atoms. There are a spread of Nd–O bond distances ranging from 2.44–2.56 Å. Re+4.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are a spread of Re–O bond distances ranging from 1.99–2.03 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Nd3+ and two equivalent Re+4.33+ atoms. In the second O2- site, O2- is bonded in a tetrahedral geometry to four equivalent Nd3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Nd3+ and two equivalent Re+4.33+ atoms.},

  doi          = {10.17188/1718492},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1718492

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