Materials Data on NaLu(ReO5)4 by Materials Project

doi:10.17188/1696471

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

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Abstract

NaLu(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 (2.58 Å) and four longer (2.65 Å) Na–O bond lengths. Lu is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.23 Å) and four longer (2.36 Å) Lu–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 Lu 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 Lu and one Re atom.

Publication Date:: Wed Apr 29 04:00:00 UTC 2020

Other Number(s):: mp-1210580

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Lu-Na-O-Re; NaLu(ReO5)4; crystal structure

OSTI Identifier:: 1696471

DOI:: https://doi.org/10.17188/1696471

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                    Materials Data on NaLu(ReO5)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1696471.

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                    Materials Data on NaLu(ReO5)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1696471

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                    2020.  
"Materials Data on NaLu(ReO5)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1696471.  https://www.osti.gov/servlets/purl/1696471. Pub date:Wed Apr 29 04:00:00 UTC 2020

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@article{osti_1696471,

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

  
  abstractNote = {NaLu(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 (2.58 Å) and four longer (2.65 Å) Na–O bond lengths. Lu is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.23 Å) and four longer (2.36 Å) Lu–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 Lu 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 Lu and one Re atom.},

  doi          = {10.17188/1696471},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 04:00:00 UTC 2020},

  month        = {Wed Apr 29 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1696471

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