Materials Data on UCO6 by Materials Project

doi:10.17188/1738236

Title: Materials Data on UCO6 by Materials Project

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Abstract

UO4CO2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of eight carbon dioxide molecules and four UO4 ribbons oriented in the (0, 1, 0) direction. In each UO4 ribbon, U is bonded to five O atoms to form distorted corner-sharing UO5 trigonal bipyramids. There are a spread of U–O bond distances ranging from 1.83–2.27 Å. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a single-bond geometry to one U atom. In the fourth O site, O is bonded in a distorted linear geometry to two equivalent U atoms.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1200269

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; UCO6; C-O-U

OSTI Identifier:: 1738236

DOI:: https://doi.org/10.17188/1738236

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                    The Materials Project. Materials Data on UCO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738236.

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                    The Materials Project. Materials Data on UCO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1738236

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                    The Materials Project. 2020.  
"Materials Data on UCO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1738236.  https://www.osti.gov/servlets/purl/1738236. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1738236,

  title        = {Materials Data on UCO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UO4CO2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of eight carbon dioxide molecules and four UO4 ribbons oriented in the (0, 1, 0) direction. In each UO4 ribbon, U is bonded to five O atoms to form distorted corner-sharing UO5 trigonal bipyramids. There are a spread of U–O bond distances ranging from 1.83–2.27 Å. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a single-bond geometry to one U atom. In the fourth O site, O is bonded in a distorted linear geometry to two equivalent U atoms.},

  doi          = {10.17188/1738236},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1738236

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