Materials Data on UTl2O4 by Materials Project

doi:10.17188/1355376

Title: Materials Data on UTl2O4 by Materials Project

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Abstract

Tl2UO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. 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 (1.95 Å) and four longer (2.19 Å) U–O bond lengths. Tl1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tl–O bond distances ranging from 2.97–3.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent U6+ and four equivalent Tl1+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and five equivalent Tl1+ atoms.

Publication Date:: 2020-07-22

Other Number(s):: mp-1025154

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; crystal structure; O-Tl-U; UTl2O4

OSTI Identifier:: 1355376

DOI:: https://doi.org/10.17188/1355376

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                    Materials Data on UTl2O4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1355376.

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                    Materials Data on UTl2O4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1355376

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                    2020.  
"Materials Data on UTl2O4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1355376.  https://www.osti.gov/servlets/purl/1355376. Pub date:Wed Jul 22 20:00:00 EDT 2020

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@article{osti_1355376,

  title        = {Materials Data on UTl2O4 by Materials Project},

  
  abstractNote = {Tl2UO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. 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 (1.95 Å) and four longer (2.19 Å) U–O bond lengths. Tl1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tl–O bond distances ranging from 2.97–3.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent U6+ and four equivalent Tl1+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and five equivalent Tl1+ atoms.},

  doi          = {10.17188/1355376},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1355376

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