Materials Data on Lu(BRh)4 by Materials Project

doi:10.17188/1720662

Title: Materials Data on Lu(BRh)4 by Materials Project

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Abstract

Lu(RhB)4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to twelve equivalent Rh and twelve equivalent B atoms. There are four shorter (2.94 Å) and eight longer (3.17 Å) Lu–Rh bond lengths. There are eight shorter (3.02 Å) and four longer (3.14 Å) Lu–B bond lengths. Rh is bonded in a 5-coordinate geometry to three equivalent Lu and five equivalent B atoms. There are four shorter (2.21 Å) and one longer (2.24 Å) Rh–B bond lengths. B is bonded in a 6-coordinate geometry to three equivalent Lu, five equivalent Rh, and one B atom. The B–B bond length is 1.80 Å.

Publication Date:: Tue May 05 04:00:00 UTC 2020

Other Number(s):: mp-1188110

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-Lu-Rh; Lu(BRh)4; crystal structure

OSTI Identifier:: 1720662

DOI:: https://doi.org/10.17188/1720662

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                    Materials Data on Lu(BRh)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1720662.

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                    Materials Data on Lu(BRh)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1720662

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                    2020.  
"Materials Data on Lu(BRh)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1720662.  https://www.osti.gov/servlets/purl/1720662. Pub date:Tue May 05 04:00:00 UTC 2020

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@article{osti_1720662,

  title        = {Materials Data on Lu(BRh)4 by Materials Project},

  
  abstractNote = {Lu(RhB)4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to twelve equivalent Rh and twelve equivalent B atoms. There are four shorter (2.94 Å) and eight longer (3.17 Å) Lu–Rh bond lengths. There are eight shorter (3.02 Å) and four longer (3.14 Å) Lu–B bond lengths. Rh is bonded in a 5-coordinate geometry to three equivalent Lu and five equivalent B atoms. There are four shorter (2.21 Å) and one longer (2.24 Å) Rh–B bond lengths. B is bonded in a 6-coordinate geometry to three equivalent Lu, five equivalent Rh, and one B atom. The B–B bond length is 1.80 Å.},

  doi          = {10.17188/1720662},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue May 05 04:00:00 UTC 2020},

  month        = {Tue May 05 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1720662

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Materials Data on Lu(BRh)4 by Materials Project

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Lu(RhB)4 crystallizes in the orthorhombic Ccce space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are a spread of Lu–Rh bond distances ranging from 2.95–3.19 Å. There are a spread of Lu–B bond distances ranging from 2.97–3.18 Å. In the second Lu site, Lu is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are a spread of Lu–Rh bond distances ranging from 2.88–3.25 Å. There are a spread of Lu–B bond distancesmore »« less
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