Materials Data on UCoS3 by Materials Project

doi:10.17188/1662502

Title: Materials Data on UCoS3 by Materials Project

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Abstract

UCoS3 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.64–2.88 Å. Co2+ is bonded to six S2- atoms to form corner-sharing CoS6 octahedra. The corner-sharing octahedra tilt angles range from 39–45°. There are a spread of Co–S bond distances ranging from 2.27–2.41 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent U4+ and two equivalent Co2+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent U4+ and two equivalent Co2+ atoms. In the third S2- site, S2- is bonded to two equivalent U4+ and two equivalent Co2+ atoms to form distorted corner-sharing SU2Co2 trigonal pyramids.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-1105902

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; UCoS3; Co-S-U

OSTI Identifier:: 1662502

DOI:: https://doi.org/10.17188/1662502

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                    The Materials Project. Materials Data on UCoS3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1662502.

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                    The Materials Project. Materials Data on UCoS3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1662502

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                    The Materials Project. 2020.  
"Materials Data on UCoS3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1662502.  https://www.osti.gov/servlets/purl/1662502. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1662502,

  title        = {Materials Data on UCoS3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UCoS3 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.64–2.88 Å. Co2+ is bonded to six S2- atoms to form corner-sharing CoS6 octahedra. The corner-sharing octahedra tilt angles range from 39–45°. There are a spread of Co–S bond distances ranging from 2.27–2.41 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent U4+ and two equivalent Co2+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent U4+ and two equivalent Co2+ atoms. In the third S2- site, S2- is bonded to two equivalent U4+ and two equivalent Co2+ atoms to form distorted corner-sharing SU2Co2 trigonal pyramids.},

  doi          = {10.17188/1662502},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1662502

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