Materials Data on NaUO4 by Materials Project

doi:10.17188/1651799

Title: Materials Data on NaUO4 by Materials Project

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Abstract

NaUO4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to eight O atoms. There are six shorter (2.56 Å) and two longer (2.93 Å) Na–O bond lengths. U is bonded to eight O atoms to form edge-sharing UO8 hexagonal bipyramids. There are two shorter (1.88 Å) and six longer (2.31 Å) U–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to one Na and three equivalent U atoms to form distorted ONaU3 trigonal pyramids that share corners with six equivalent ONa3U tetrahedra, corners with ten equivalent ONaU3 trigonal pyramids, edges with three equivalent ONa3U tetrahedra, and edges with three equivalent ONaU3 trigonal pyramids. In the second O site, O is bonded to three equivalent Na and one U atom to form distorted ONa3U tetrahedra that share corners with ten equivalent ONa3U tetrahedra, corners with six equivalent ONaU3 trigonal pyramids, edges with three equivalent ONa3U tetrahedra, and edges with three equivalent ONaU3 trigonal pyramids.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-1077494

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; NaUO4; Na-O-U

OSTI Identifier:: 1651799

DOI:: https://doi.org/10.17188/1651799

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                    The Materials Project. Materials Data on NaUO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1651799.

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                    The Materials Project. Materials Data on NaUO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1651799

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                    The Materials Project. 2020.  
"Materials Data on NaUO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1651799.  https://www.osti.gov/servlets/purl/1651799. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1651799,

  title        = {Materials Data on NaUO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaUO4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to eight O atoms. There are six shorter (2.56 Å) and two longer (2.93 Å) Na–O bond lengths. U is bonded to eight O atoms to form edge-sharing UO8 hexagonal bipyramids. There are two shorter (1.88 Å) and six longer (2.31 Å) U–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to one Na and three equivalent U atoms to form distorted ONaU3 trigonal pyramids that share corners with six equivalent ONa3U tetrahedra, corners with ten equivalent ONaU3 trigonal pyramids, edges with three equivalent ONa3U tetrahedra, and edges with three equivalent ONaU3 trigonal pyramids. In the second O site, O is bonded to three equivalent Na and one U atom to form distorted ONa3U tetrahedra that share corners with ten equivalent ONa3U tetrahedra, corners with six equivalent ONaU3 trigonal pyramids, edges with three equivalent ONa3U tetrahedra, and edges with three equivalent ONaU3 trigonal pyramids.},

  doi          = {10.17188/1651799},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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