Materials Data on U4Be2C5 by Materials Project

doi:10.17188/1282957

Title: Materials Data on U4Be2C5 by Materials Project

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Abstract

Be2U4C5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Be2+ is bonded in a T-shaped geometry to three C4- atoms. There is one shorter (1.76 Å) and two longer (1.82 Å) Be–C bond length. U4+ is bonded to six C4- atoms to form a mixture of distorted corner, edge, and face-sharing UC6 octahedra. The corner-sharing octahedra tilt angles range from 0–98°. There are a spread of U–C bond distances ranging from 2.26–2.63 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded in a 6-coordinate geometry to one Be2+ and five equivalent U4+ atoms. In the second C4- site, C4- is bonded in an octahedral geometry to two equivalent Be2+ and four equivalent U4+ atoms.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-676180

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; U4Be2C5; Be-C-U

OSTI Identifier:: 1282957

DOI:: https://doi.org/10.17188/1282957

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                    The Materials Project. Materials Data on U4Be2C5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1282957.

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                    The Materials Project. Materials Data on U4Be2C5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1282957

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                    The Materials Project. 2020.  
"Materials Data on U4Be2C5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1282957.  https://www.osti.gov/servlets/purl/1282957. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1282957,

  title        = {Materials Data on U4Be2C5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Be2U4C5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Be2+ is bonded in a T-shaped geometry to three C4- atoms. There is one shorter (1.76 Å) and two longer (1.82 Å) Be–C bond length. U4+ is bonded to six C4- atoms to form a mixture of distorted corner, edge, and face-sharing UC6 octahedra. The corner-sharing octahedra tilt angles range from 0–98°. There are a spread of U–C bond distances ranging from 2.26–2.63 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded in a 6-coordinate geometry to one Be2+ and five equivalent U4+ atoms. In the second C4- site, C4- is bonded in an octahedral geometry to two equivalent Be2+ and four equivalent U4+ atoms.},

  doi          = {10.17188/1282957},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1282957

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