Materials Data on UCl5 by Materials Project

doi:10.17188/1276038

Title: Materials Data on UCl5 by Materials Project

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Abstract

UCl5 is Copper structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two UCl5 clusters. U5+ is bonded to six Cl1- atoms to form edge-sharing UCl6 octahedra. There are a spread of U–Cl bond distances ranging from 2.47–2.73 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent U5+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one U5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one U5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one U5+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one U5+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-570989

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; UCl5; Cl-U

OSTI Identifier:: 1276038

DOI:: https://doi.org/10.17188/1276038

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                    The Materials Project. Materials Data on UCl5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1276038.

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                    The Materials Project. Materials Data on UCl5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1276038

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                    The Materials Project. 2020.  
"Materials Data on UCl5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1276038.  https://www.osti.gov/servlets/purl/1276038. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1276038,

  title        = {Materials Data on UCl5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UCl5 is Copper structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two UCl5 clusters. U5+ is bonded to six Cl1- atoms to form edge-sharing UCl6 octahedra. There are a spread of U–Cl bond distances ranging from 2.47–2.73 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent U5+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one U5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one U5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one U5+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one U5+ atom.},

  doi          = {10.17188/1276038},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1276038

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