Materials Data on UBO3 by Materials Project

doi:10.17188/1758741

Title: Materials Data on UBO3 by Materials Project

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Abstract

UBO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. U3+ is bonded to twelve equivalent O2- atoms to form UO12 cuboctahedra that share corners with twelve equivalent UO12 cuboctahedra, faces with six equivalent UO12 cuboctahedra, and faces with eight equivalent BO6 octahedra. All U–O bond lengths are 2.54 Å. B3+ is bonded to six equivalent O2- atoms to form BO6 octahedra that share corners with six equivalent BO6 octahedra and faces with eight equivalent UO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All B–O bond lengths are 1.79 Å. O2- is bonded in a distorted linear geometry to four equivalent U3+ and two equivalent B3+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Sep 03 00:00:00 EDT 2020

Other Number(s):: mp-1187784

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; UBO3; B-O-U

OSTI Identifier:: 1758741

DOI:: https://doi.org/10.17188/1758741

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                    The Materials Project. Materials Data on UBO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1758741.

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                    The Materials Project. Materials Data on UBO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1758741

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                    The Materials Project. 2020.  
"Materials Data on UBO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1758741.  https://www.osti.gov/servlets/purl/1758741. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1758741,

  title        = {Materials Data on UBO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UBO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. U3+ is bonded to twelve equivalent O2- atoms to form UO12 cuboctahedra that share corners with twelve equivalent UO12 cuboctahedra, faces with six equivalent UO12 cuboctahedra, and faces with eight equivalent BO6 octahedra. All U–O bond lengths are 2.54 Å. B3+ is bonded to six equivalent O2- atoms to form BO6 octahedra that share corners with six equivalent BO6 octahedra and faces with eight equivalent UO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All B–O bond lengths are 1.79 Å. O2- is bonded in a distorted linear geometry to four equivalent U3+ and two equivalent B3+ atoms.},

  doi          = {10.17188/1758741},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Sep 03 00:00:00 EDT 2020},

  month        = {Thu Sep 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1758741

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