Materials Data on U2CuSi3 by Materials Project

doi:10.17188/1746614

Title: Materials Data on U2CuSi3 by Materials Project

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Abstract

U2CuSi3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent U5+ sites. In the first U5+ site, U5+ is bonded in a distorted q4 geometry to ten Si4- atoms. There are a spread of U–Si bond distances ranging from 3.01–3.08 Å. In the second U5+ site, U5+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are six shorter (2.98 Å) and two longer (3.08 Å) U–Si bond lengths. Cu2+ is bonded in a trigonal planar geometry to three Si4- atoms. All Cu–Si bond lengths are 2.27 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six U5+ and three Si4- atoms. There are two shorter (2.33 Å) and one longer (2.34 Å) Si–Si bond lengths. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to six U5+, two equivalent Cu2+, and one Si4- atom. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to six U5+, one Cu2+, and two equivalent Si4- atoms.

Authors:: The Materials Project

Publication Date:: Fri Jun 05 00:00:00 EDT 2020

Other Number(s):: mp-1216812

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; U2CuSi3; Cu-Si-U

OSTI Identifier:: 1746614

DOI:: https://doi.org/10.17188/1746614

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                    The Materials Project. Materials Data on U2CuSi3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746614.

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                    The Materials Project. Materials Data on U2CuSi3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746614

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                    The Materials Project. 2020.  
"Materials Data on U2CuSi3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746614.  https://www.osti.gov/servlets/purl/1746614. Pub date:Fri Jun 05 00:00:00 EDT 2020

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@article{osti_1746614,

  title        = {Materials Data on U2CuSi3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {U2CuSi3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent U5+ sites. In the first U5+ site, U5+ is bonded in a distorted q4 geometry to ten Si4- atoms. There are a spread of U–Si bond distances ranging from 3.01–3.08 Å. In the second U5+ site, U5+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are six shorter (2.98 Å) and two longer (3.08 Å) U–Si bond lengths. Cu2+ is bonded in a trigonal planar geometry to three Si4- atoms. All Cu–Si bond lengths are 2.27 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six U5+ and three Si4- atoms. There are two shorter (2.33 Å) and one longer (2.34 Å) Si–Si bond lengths. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to six U5+, two equivalent Cu2+, and one Si4- atom. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to six U5+, one Cu2+, and two equivalent Si4- atoms.},

  doi          = {10.17188/1746614},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jun 05 00:00:00 EDT 2020},

  month        = {Fri Jun 05 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1746614

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