Materials Data on Ce5(FeB3)2 by Materials Project

doi:10.17188/1666724

Title: Materials Data on Ce5(FeB3)2 by Materials Project

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Abstract

Ce5(FeB3)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a linear geometry to two equivalent Fe atoms. Both Ce–Fe bond lengths are 2.79 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to six equivalent B atoms. All Ce–B bond lengths are 2.72 Å. In the third Ce site, Ce is bonded in a 12-coordinate geometry to six equivalent B atoms. All Ce–B bond lengths are 2.70 Å. Fe is bonded in a 7-coordinate geometry to one Ce and six equivalent B atoms. All Fe–B bond lengths are 2.14 Å. B is bonded in a 9-coordinate geometry to four Ce, two equivalent Fe, and three equivalent B atoms. There is two shorter (1.76 Å) and one longer (1.79 Å) B–B bond length.

Publication Date:: Thu Jul 19 04:00:00 UTC 2018

Other Number(s):: mp-1105171

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-Fe; Ce5(FeB3)2; crystal structure

OSTI Identifier:: 1666724

DOI:: https://doi.org/10.17188/1666724

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                    Materials Data on Ce5(FeB3)2 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1666724.

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                    Materials Data on Ce5(FeB3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1666724

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                    2018.  
"Materials Data on Ce5(FeB3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1666724.  https://www.osti.gov/servlets/purl/1666724. Pub date:Thu Jul 19 04:00:00 UTC 2018

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@article{osti_1666724,

  title        = {Materials Data on Ce5(FeB3)2 by Materials Project},

  
  abstractNote = {Ce5(FeB3)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a linear geometry to two equivalent Fe atoms. Both Ce–Fe bond lengths are 2.79 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to six equivalent B atoms. All Ce–B bond lengths are 2.72 Å. In the third Ce site, Ce is bonded in a 12-coordinate geometry to six equivalent B atoms. All Ce–B bond lengths are 2.70 Å. Fe is bonded in a 7-coordinate geometry to one Ce and six equivalent B atoms. All Fe–B bond lengths are 2.14 Å. B is bonded in a 9-coordinate geometry to four Ce, two equivalent Fe, and three equivalent B atoms. There is two shorter (1.76 Å) and one longer (1.79 Å) B–B bond length.},

  doi          = {10.17188/1666724},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 19 04:00:00 UTC 2018},

  month        = {Thu Jul 19 04:00:00 UTC 2018}

}

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DOI: https://doi.org/10.17188/1666724

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