Materials Data on U(BiO3)2 by Materials Project

doi:10.17188/1201957

Title: Materials Data on U(BiO3)2 by Materials Project

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Abstract

Bi2UO6 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. U6+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.01 Å) and six longer (2.32 Å) U–O bond lengths. Bi3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.34–2.75 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and three equivalent Bi3+ atoms. In the second O2- site, O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent U6+ and one Bi3+ atom.

Publication Date:: Wed Jul 15 04:00:00 UTC 2020

Other Number(s):: mp-27775

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; Bi-O-U; U(BiO3)2; crystal structure

OSTI Identifier:: 1201957

DOI:: https://doi.org/10.17188/1201957

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                    Materials Data on U(BiO3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201957.

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                    Materials Data on U(BiO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1201957

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                    2020.  
"Materials Data on U(BiO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1201957.  https://www.osti.gov/servlets/purl/1201957. Pub date:Wed Jul 15 04:00:00 UTC 2020

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@article{osti_1201957,

  title        = {Materials Data on U(BiO3)2 by Materials Project},

  
  abstractNote = {Bi2UO6 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. U6+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.01 Å) and six longer (2.32 Å) U–O bond lengths. Bi3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.34–2.75 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and three equivalent Bi3+ atoms. In the second O2- site, O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent U6+ and one Bi3+ atom.},

  doi          = {10.17188/1201957},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 04:00:00 UTC 2020},

  month        = {Wed Jul 15 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1201957

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