Materials Data on U2Cu4As5 by Materials Project

doi:10.17188/1202762

Title: Materials Data on U2Cu4As5 by Materials Project

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Abstract

U2Cu4As5 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U5+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are four shorter (2.94 Å) and four longer (3.00 Å) U–As bond lengths. Cu+1.25+ is bonded to four As3- atoms to form a mixture of corner and edge-sharing CuAs4 tetrahedra. There are two shorter (2.44 Å) and two longer (2.56 Å) Cu–As bond lengths. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent U5+ and four equivalent Cu+1.25+ atoms. In the second As3- site, As3- is bonded in a body-centered cubic geometry to eight equivalent Cu+1.25+ atoms. In the third As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent U5+ and four equivalent As3- atoms. All As–As bond lengths are 2.82 Å.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-28687

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; U2Cu4As5; As-Cu-U

OSTI Identifier:: 1202762

DOI:: https://doi.org/10.17188/1202762

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                    The Materials Project. Materials Data on U2Cu4As5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202762.

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                    The Materials Project. Materials Data on U2Cu4As5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202762

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                    The Materials Project. 2020.  
"Materials Data on U2Cu4As5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202762.  https://www.osti.gov/servlets/purl/1202762. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1202762,

  title        = {Materials Data on U2Cu4As5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {U2Cu4As5 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U5+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are four shorter (2.94 Å) and four longer (3.00 Å) U–As bond lengths. Cu+1.25+ is bonded to four As3- atoms to form a mixture of corner and edge-sharing CuAs4 tetrahedra. There are two shorter (2.44 Å) and two longer (2.56 Å) Cu–As bond lengths. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent U5+ and four equivalent Cu+1.25+ atoms. In the second As3- site, As3- is bonded in a body-centered cubic geometry to eight equivalent Cu+1.25+ atoms. In the third As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent U5+ and four equivalent As3- atoms. All As–As bond lengths are 2.82 Å.},

  doi          = {10.17188/1202762},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1202762

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