Materials Data on UC2O9 by Materials Project

doi:10.17188/1706751

Title: Materials Data on UC2O9 by Materials Project

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Abstract

UO2CO3CO2O2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four carbon dioxide molecules, four oxygen molecules, and two UO2CO3 clusters. In each UO2CO3 cluster, U is bonded in a 3-coordinate geometry to five O atoms. There are a spread of U–O bond distances ranging from 1.82–2.46 Å. C is bonded in a distorted bent 120 degrees geometry to two O atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. There are five 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 bent 120 degrees geometry to one U and one C atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one U and one C atom.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1198555

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; UC2O9; C-O-U

OSTI Identifier:: 1706751

DOI:: https://doi.org/10.17188/1706751

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                    The Materials Project. Materials Data on UC2O9 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1706751.

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                    The Materials Project. Materials Data on UC2O9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1706751

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                    The Materials Project. 2019.  
"Materials Data on UC2O9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1706751.  https://www.osti.gov/servlets/purl/1706751. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1706751,

  title        = {Materials Data on UC2O9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UO2CO3CO2O2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four carbon dioxide molecules, four oxygen molecules, and two UO2CO3 clusters. In each UO2CO3 cluster, U is bonded in a 3-coordinate geometry to five O atoms. There are a spread of U–O bond distances ranging from 1.82–2.46 Å. C is bonded in a distorted bent 120 degrees geometry to two O atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. There are five 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 bent 120 degrees geometry to one U and one C atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one U and one C atom.},

  doi          = {10.17188/1706751},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1706751

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