Materials Data on U5O11 by Materials Project

doi:10.17188/1284040

Title: Materials Data on U5O11 by Materials Project

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Abstract

U5O11 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are five inequivalent U+4.40+ sites. In the first U+4.40+ site, U+4.40+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of U–O bond distances ranging from 2.17–2.72 Å. In the second U+4.40+ site, U+4.40+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.17–2.54 Å. In the third U+4.40+ site, U+4.40+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.20–2.51 Å. In the fourth U+4.40+ site, U+4.40+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.17–2.54 Å. In the fifth U+4.40+ site, U+4.40+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of U–O bond distances ranging from 2.17–2.72 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four U+4.40+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four U+4.40+more »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-684934

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; U5O11; O-U

OSTI Identifier:: 1284040

DOI:: https://doi.org/10.17188/1284040

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                    The Materials Project. Materials Data on U5O11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1284040.

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                    The Materials Project. Materials Data on U5O11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1284040

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                    The Materials Project. 2020.  
"Materials Data on U5O11 by Materials Project".  United States.  doi:https://doi.org/10.17188/1284040.  https://www.osti.gov/servlets/purl/1284040. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1284040,

  title        = {Materials Data on U5O11 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {U5O11 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are five inequivalent U+4.40+ sites. In the first U+4.40+ site, U+4.40+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of U–O bond distances ranging from 2.17–2.72 Å. In the second U+4.40+ site, U+4.40+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.17–2.54 Å. In the third U+4.40+ site, U+4.40+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.20–2.51 Å. In the fourth U+4.40+ site, U+4.40+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.17–2.54 Å. In the fifth U+4.40+ site, U+4.40+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of U–O bond distances ranging from 2.17–2.72 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four U+4.40+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four U+4.40+ atoms. In the third O2- site, O2- is bonded to four U+4.40+ atoms to form a mixture of distorted edge and corner-sharing OU4 tetrahedra. In the fourth O2- site, O2- is bonded to four U+4.40+ atoms to form a mixture of distorted edge and corner-sharing OU4 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to four U+4.40+ atoms. In the sixth O2- site, O2- is bonded to four U+4.40+ atoms to form a mixture of distorted edge and corner-sharing OU4 tetrahedra. In the seventh O2- site, O2- is bonded to four U+4.40+ atoms to form a mixture of distorted edge and corner-sharing OU4 tetrahedra. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to four U+4.40+ atoms. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to four U+4.40+ atoms. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to four U+4.40+ atoms. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to four U+4.40+ atoms.},

  doi          = {10.17188/1284040},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1284040

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