Materials Data on CaB2Rh3 by Materials Project

doi:10.17188/1202774

Title: Materials Data on CaB2Rh3 by Materials Project

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Abstract

CaRh3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to two equivalent Ca, twelve equivalent Rh, and six equivalent B atoms. Both Ca–Ca bond lengths are 2.93 Å. All Ca–Rh bond lengths are 3.17 Å. All Ca–B bond lengths are 3.24 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent Ca and four equivalent B atoms. All Rh–B bond lengths are 2.19 Å. B is bonded in a 6-coordinate geometry to three equivalent Ca and six equivalent Rh atoms.

Publication Date:: Thu Jul 16 04:00:00 UTC 2020

Other Number(s):: mp-28705

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-Ca-Rh; CaB2Rh3; crystal structure

OSTI Identifier:: 1202774

DOI:: https://doi.org/10.17188/1202774

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                    Materials Data on CaB2Rh3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202774.

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                    Materials Data on CaB2Rh3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202774

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                    2020.  
"Materials Data on CaB2Rh3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202774.  https://www.osti.gov/servlets/purl/1202774. Pub date:Thu Jul 16 04:00:00 UTC 2020

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@article{osti_1202774,

  title        = {Materials Data on CaB2Rh3 by Materials Project},

  
  abstractNote = {CaRh3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to two equivalent Ca, twelve equivalent Rh, and six equivalent B atoms. Both Ca–Ca bond lengths are 2.93 Å. All Ca–Rh bond lengths are 3.17 Å. All Ca–B bond lengths are 3.24 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent Ca and four equivalent B atoms. All Rh–B bond lengths are 2.19 Å. B is bonded in a 6-coordinate geometry to three equivalent Ca and six equivalent Rh atoms.},

  doi          = {10.17188/1202774},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 04:00:00 UTC 2020},

  month        = {Thu Jul 16 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1202774

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