Materials Data on U3O11 by Materials Project

doi:10.17188/1732974

Title: Materials Data on U3O11 by Materials Project

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Abstract

U3O11 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share a cornercorner with one UO7 pentagonal bipyramid, corners with two equivalent UO6 square pyramids, edges with two equivalent UO7 pentagonal bipyramids, and an edgeedge with one UO6 square pyramid. There are a spread of U–O bond distances ranging from 1.80–2.48 Å. In the second U site, U is bonded to six O atoms to form a mixture of distorted corner and edge-sharing UO6 square pyramids. There are a spread of U–O bond distances ranging from 1.87–2.93 Å. There are six inequivalent O sites. In the first O site, O is bonded in a linear geometry to one U and one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a 3-coordinate geometry to three U atoms. In the third O site, O is bonded in a bent 150 degrees geometry to two equivalent U atoms. In the fourth O site, O is bonded in a single-bond geometry to one U atom. In themore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1193479

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; U3O11; O-U

OSTI Identifier:: 1732974

DOI:: https://doi.org/10.17188/1732974

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                    The Materials Project. Materials Data on U3O11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1732974.

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                    The Materials Project. Materials Data on U3O11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1732974

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                    The Materials Project. 2020.  
"Materials Data on U3O11 by Materials Project".  United States.  doi:https://doi.org/10.17188/1732974.  https://www.osti.gov/servlets/purl/1732974. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1732974,

  title        = {Materials Data on U3O11 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {U3O11 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share a cornercorner with one UO7 pentagonal bipyramid, corners with two equivalent UO6 square pyramids, edges with two equivalent UO7 pentagonal bipyramids, and an edgeedge with one UO6 square pyramid. There are a spread of U–O bond distances ranging from 1.80–2.48 Å. In the second U site, U is bonded to six O atoms to form a mixture of distorted corner and edge-sharing UO6 square pyramids. There are a spread of U–O bond distances ranging from 1.87–2.93 Å. There are six inequivalent O sites. In the first O site, O is bonded in a linear geometry to one U and one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a 3-coordinate geometry to three U atoms. In the third O site, O is bonded in a bent 150 degrees geometry to two equivalent U atoms. In the fourth O site, O is bonded in a single-bond geometry to one U atom. In the fifth O site, O is bonded in a single-bond geometry to one U atom. In the sixth O site, O is bonded in a single-bond geometry to one U atom.},

  doi          = {10.17188/1732974},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1732974

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