Materials Data on UCl2O5 by Materials Project

doi:10.17188/1707588

Title: Materials Data on UCl2O5 by Materials Project

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Abstract

UO5Cl2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four UO5 clusters and four Cl2 ribbons oriented in the (1, 0, 0) direction. In each UO5 cluster, U is bonded in a trigonal bipyramidal geometry to five O atoms. There is three shorter (1.82 Å) and two longer (1.84 Å) U–O bond length. 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 single-bond geometry to one U atom. In each Cl2 ribbon, Cl is bonded in a linear geometry to two equivalent Cl atoms. Both Cl–Cl bond lengths are 2.43 Å.

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1179046

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; UCl2O5; Cl-O-U

OSTI Identifier:: 1707588

DOI:: https://doi.org/10.17188/1707588

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                    The Materials Project. Materials Data on UCl2O5 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1707588.

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                    The Materials Project. Materials Data on UCl2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1707588

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                    The Materials Project. 2019.  
"Materials Data on UCl2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1707588.  https://www.osti.gov/servlets/purl/1707588. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1707588,

  title        = {Materials Data on UCl2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UO5Cl2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four UO5 clusters and four Cl2 ribbons oriented in the (1, 0, 0) direction. In each UO5 cluster, U is bonded in a trigonal bipyramidal geometry to five O atoms. There is three shorter (1.82 Å) and two longer (1.84 Å) U–O bond length. 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 single-bond geometry to one U atom. In each Cl2 ribbon, Cl is bonded in a linear geometry to two equivalent Cl atoms. Both Cl–Cl bond lengths are 2.43 Å.},

  doi          = {10.17188/1707588},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1707588

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