Materials Data on Na2UI6 by Materials Project

doi:10.17188/1199582

Title: Materials Data on Na2UI6 by Materials Project

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Abstract

Na2UI6 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three Na2UI6 sheets oriented in the (0, 0, 1) direction. Na1+ is bonded to six equivalent I1- atoms to form NaI6 octahedra that share edges with three equivalent NaI6 octahedra and edges with three equivalent UI6 octahedra. There are three shorter (3.26 Å) and three longer (3.27 Å) Na–I bond lengths. U4+ is bonded to six equivalent I1- atoms to form UI6 octahedra that share edges with six equivalent NaI6 octahedra. All U–I bond lengths are 3.03 Å. I1- is bonded in a distorted T-shaped geometry to two equivalent Na1+ and one U4+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-23546

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; Na2UI6; I-Na-U

OSTI Identifier:: 1199582

DOI:: https://doi.org/10.17188/1199582

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                    The Materials Project. Materials Data on Na2UI6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199582.

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                    The Materials Project. Materials Data on Na2UI6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199582

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                    The Materials Project. 2020.  
"Materials Data on Na2UI6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199582.  https://www.osti.gov/servlets/purl/1199582. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1199582,

  title        = {Materials Data on Na2UI6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na2UI6 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three Na2UI6 sheets oriented in the (0, 0, 1) direction. Na1+ is bonded to six equivalent I1- atoms to form NaI6 octahedra that share edges with three equivalent NaI6 octahedra and edges with three equivalent UI6 octahedra. There are three shorter (3.26 Å) and three longer (3.27 Å) Na–I bond lengths. U4+ is bonded to six equivalent I1- atoms to form UI6 octahedra that share edges with six equivalent NaI6 octahedra. All U–I bond lengths are 3.03 Å. I1- is bonded in a distorted T-shaped geometry to two equivalent Na1+ and one U4+ atom.},

  doi          = {10.17188/1199582},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1199582

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