Materials Data on U2Co3Si5 by Materials Project

doi:10.17188/1196457

Title: Materials Data on U2Co3Si5 by Materials Project

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Abstract

U2Co3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. U3+ is bonded in a 1-coordinate geometry to ten Si+2.40- atoms. There are a spread of U–Si bond distances ranging from 2.83–3.09 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a distorted hexagonal planar geometry to six Si+2.40- atoms. There are four shorter (2.32 Å) and two longer (2.53 Å) Co–Si bond lengths. In the second Co2+ site, Co2+ is bonded in a 5-coordinate geometry to five Si+2.40- atoms. There are a spread of Co–Si bond distances ranging from 2.26–2.35 Å. There are three inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to four equivalent U3+, three Co2+, and two equivalent Si+2.40- atoms. Both Si–Si bond lengths are 2.46 Å. In the second Si+2.40- site, Si+2.40- is bonded in a 2-coordinate geometry to four equivalent U3+, three Co2+, and four Si+2.40- atoms. Both Si–Si bond lengths are 2.79 Å. In the third Si+2.40- site, Si+2.40- is bonded in a 8-coordinate geometry to four equivalent U3+ and four equivalent Co2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-21178

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; U2Co3Si5; Co-Si-U

OSTI Identifier:: 1196457

DOI:: https://doi.org/10.17188/1196457

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                    The Materials Project. Materials Data on U2Co3Si5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1196457.

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                    The Materials Project. Materials Data on U2Co3Si5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1196457

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                    The Materials Project. 2020.  
"Materials Data on U2Co3Si5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1196457.  https://www.osti.gov/servlets/purl/1196457. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1196457,

  title        = {Materials Data on U2Co3Si5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {U2Co3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. U3+ is bonded in a 1-coordinate geometry to ten Si+2.40- atoms. There are a spread of U–Si bond distances ranging from 2.83–3.09 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a distorted hexagonal planar geometry to six Si+2.40- atoms. There are four shorter (2.32 Å) and two longer (2.53 Å) Co–Si bond lengths. In the second Co2+ site, Co2+ is bonded in a 5-coordinate geometry to five Si+2.40- atoms. There are a spread of Co–Si bond distances ranging from 2.26–2.35 Å. There are three inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to four equivalent U3+, three Co2+, and two equivalent Si+2.40- atoms. Both Si–Si bond lengths are 2.46 Å. In the second Si+2.40- site, Si+2.40- is bonded in a 2-coordinate geometry to four equivalent U3+, three Co2+, and four Si+2.40- atoms. Both Si–Si bond lengths are 2.79 Å. In the third Si+2.40- site, Si+2.40- is bonded in a 8-coordinate geometry to four equivalent U3+ and four equivalent Co2+ atoms.},

  doi          = {10.17188/1196457},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1196457

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