Materials Data on Ce(Co2B)6 by Materials Project

doi:10.17188/1693058

Title: Materials Data on Ce(Co2B)6 by Materials Project

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Abstract

CeCo12B6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce3+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. All Ce–B bond lengths are 3.07 Å. There are two inequivalent Co+1.25+ sites. In the first Co+1.25+ site, Co+1.25+ is bonded in a T-shaped geometry to three equivalent B3- atoms. There are two shorter (2.09 Å) and one longer (2.12 Å) Co–B bond lengths. In the second Co+1.25+ site, Co+1.25+ is bonded to four equivalent B3- atoms to form a mixture of distorted corner and edge-sharing CoB4 trigonal pyramids. There are two shorter (2.03 Å) and two longer (2.04 Å) Co–B bond lengths. B3- is bonded in a 7-coordinate geometry to one Ce3+ and seven Co+1.25+ atoms.

Publication Date:: 2020-06-04

Other Number(s):: mp-1205398

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; B-Ce-Co; Ce(Co2B)6; crystal structure

OSTI Identifier:: 1693058

DOI:: https://doi.org/10.17188/1693058

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                    Materials Data on Ce(Co2B)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1693058.

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                    Materials Data on Ce(Co2B)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1693058

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                    2020.  
"Materials Data on Ce(Co2B)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1693058.  https://www.osti.gov/servlets/purl/1693058. Pub date:Thu Jun 04 00:00:00 EDT 2020

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@article{osti_1693058,

  title        = {Materials Data on Ce(Co2B)6 by Materials Project},

  
  abstractNote = {CeCo12B6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce3+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. All Ce–B bond lengths are 3.07 Å. There are two inequivalent Co+1.25+ sites. In the first Co+1.25+ site, Co+1.25+ is bonded in a T-shaped geometry to three equivalent B3- atoms. There are two shorter (2.09 Å) and one longer (2.12 Å) Co–B bond lengths. In the second Co+1.25+ site, Co+1.25+ is bonded to four equivalent B3- atoms to form a mixture of distorted corner and edge-sharing CoB4 trigonal pyramids. There are two shorter (2.03 Å) and two longer (2.04 Å) Co–B bond lengths. B3- is bonded in a 7-coordinate geometry to one Ce3+ and seven Co+1.25+ atoms.},

  doi          = {10.17188/1693058},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1693058

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