Materials Data on Tb4CoB13 by Materials Project

doi:10.17188/1198796

Title: Materials Data on Tb4CoB13 by Materials Project

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Abstract

Tb4CoB13 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Tb+3.25+ is bonded in a 6-coordinate geometry to one Co2+ and fifteen B+1.15- atoms. The Tb–Co bond length is 2.70 Å. There are a spread of Tb–B bond distances ranging from 2.59–2.92 Å. Co2+ is bonded in a 12-coordinate geometry to four equivalent Tb+3.25+ and eight equivalent B+1.15- atoms. All Co–B bond lengths are 2.18 Å. There are three inequivalent B+1.15- sites. In the first B+1.15- site, B+1.15- is bonded in a 9-coordinate geometry to four equivalent Tb+3.25+, one Co2+, and four B+1.15- atoms. There is three shorter (1.80 Å) and one longer (2.13 Å) B–B bond length. In the second B+1.15- site, B+1.15- is bonded in a cuboctahedral geometry to four equivalent Tb+3.25+ and eight equivalent B+1.15- atoms. In the third B+1.15- site, B+1.15- is bonded in a 3-coordinate geometry to six equivalent Tb+3.25+ and three B+1.15- atoms. The B–B bond length is 1.89 Å.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-22573

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; Tb4CoB13; B-Co-Tb

OSTI Identifier:: 1198796

DOI:: https://doi.org/10.17188/1198796

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                    The Materials Project. Materials Data on Tb4CoB13 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1198796.

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                    The Materials Project. Materials Data on Tb4CoB13 by Materials Project.  United States.  doi:https://doi.org/10.17188/1198796

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                    The Materials Project. 2020.  
"Materials Data on Tb4CoB13 by Materials Project".  United States.  doi:https://doi.org/10.17188/1198796.  https://www.osti.gov/servlets/purl/1198796. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1198796,

  title        = {Materials Data on Tb4CoB13 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tb4CoB13 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Tb+3.25+ is bonded in a 6-coordinate geometry to one Co2+ and fifteen B+1.15- atoms. The Tb–Co bond length is 2.70 Å. There are a spread of Tb–B bond distances ranging from 2.59–2.92 Å. Co2+ is bonded in a 12-coordinate geometry to four equivalent Tb+3.25+ and eight equivalent B+1.15- atoms. All Co–B bond lengths are 2.18 Å. There are three inequivalent B+1.15- sites. In the first B+1.15- site, B+1.15- is bonded in a 9-coordinate geometry to four equivalent Tb+3.25+, one Co2+, and four B+1.15- atoms. There is three shorter (1.80 Å) and one longer (2.13 Å) B–B bond length. In the second B+1.15- site, B+1.15- is bonded in a cuboctahedral geometry to four equivalent Tb+3.25+ and eight equivalent B+1.15- atoms. In the third B+1.15- site, B+1.15- is bonded in a 3-coordinate geometry to six equivalent Tb+3.25+ and three B+1.15- atoms. The B–B bond length is 1.89 Å.},

  doi          = {10.17188/1198796},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1198796

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