Materials Data on NaEr(ReO5)4 by Materials Project

doi:10.17188/1654430

Title: Materials Data on NaEr(ReO5)4 by Materials Project

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Abstract

NaEr(ReO5)4 crystallizes in the tetragonal P-4n2 space group. The structure is three-dimensional. Na is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.56 Å) and four longer (2.65 Å) Na–O bond lengths. Er is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.27 Å) and four longer (2.38 Å) Er–O bond lengths. Re is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.74 Å) and one longer (1.81 Å) Re–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Re atom. In the second O site, O is bonded in a distorted single-bond geometry to one Na and one Re atom. In the third O site, O is bonded in a single-bond geometry to one Er atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Na and one Re atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Er and one Re atom.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1210594

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; NaEr(ReO5)4; Er-Na-O-Re

OSTI Identifier:: 1654430

DOI:: https://doi.org/10.17188/1654430

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                    The Materials Project. Materials Data on NaEr(ReO5)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1654430.

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                    The Materials Project. Materials Data on NaEr(ReO5)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1654430

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                    The Materials Project. 2020.  
"Materials Data on NaEr(ReO5)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1654430.  https://www.osti.gov/servlets/purl/1654430. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1654430,

  title        = {Materials Data on NaEr(ReO5)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaEr(ReO5)4 crystallizes in the tetragonal P-4n2 space group. The structure is three-dimensional. Na is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.56 Å) and four longer (2.65 Å) Na–O bond lengths. Er is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.27 Å) and four longer (2.38 Å) Er–O bond lengths. Re is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.74 Å) and one longer (1.81 Å) Re–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Re atom. In the second O site, O is bonded in a distorted single-bond geometry to one Na and one Re atom. In the third O site, O is bonded in a single-bond geometry to one Er atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Na and one Re atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Er and one Re atom.},

  doi          = {10.17188/1654430},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1654430

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