Materials Data on Na2UO4 by Materials Project

doi:10.17188/1301318

Title: Materials Data on Na2UO4 by Materials Project

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Abstract

Na2UO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na1+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Na–O bond distances ranging from 2.26–3.08 Å. U6+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.93 Å) and four longer (2.18 Å) U–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to five equivalent Na1+ and one U6+ atom. In the second O2- site, O2- is bonded to four equivalent Na1+ and two equivalent U6+ atoms to form a mixture of distorted corner, edge, and face-sharing ONa4U2 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-7725

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; Na2UO4; Na-O-U

OSTI Identifier:: 1301318

DOI:: https://doi.org/10.17188/1301318

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                    The Materials Project. Materials Data on Na2UO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1301318.

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                    The Materials Project. Materials Data on Na2UO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1301318

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                    The Materials Project. 2020.  
"Materials Data on Na2UO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1301318.  https://www.osti.gov/servlets/purl/1301318. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1301318,

  title        = {Materials Data on Na2UO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na2UO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na1+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Na–O bond distances ranging from 2.26–3.08 Å. U6+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.93 Å) and four longer (2.18 Å) U–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to five equivalent Na1+ and one U6+ atom. In the second O2- site, O2- is bonded to four equivalent Na1+ and two equivalent U6+ atoms to form a mixture of distorted corner, edge, and face-sharing ONa4U2 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1301318},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1301318

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