Materials Data on Lu4NiB13 by Materials Project

doi:10.17188/1724709

Title: Materials Data on Lu4NiB13 by Materials Project

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Abstract

Lu4NiB13 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Lu3+ is bonded in a 6-coordinate geometry to fifteen B+1.15- atoms. There are a spread of Lu–B bond distances ranging from 2.51–2.87 Å. Ni3+ is bonded in a 8-coordinate geometry to eight equivalent B+1.15- atoms. All Ni–B bond lengths are 2.15 Å. There are three inequivalent B+1.15- sites. In the first B+1.15- site, B+1.15- is bonded in a cuboctahedral geometry to four equivalent Lu3+ and eight equivalent B+1.15- atoms. All B–B bond lengths are 2.08 Å. In the second B+1.15- site, B+1.15- is bonded in a 3-coordinate geometry to six equivalent Lu3+ and three B+1.15- atoms. There is two shorter (1.76 Å) and one longer (1.86 Å) B–B bond length. In the third B+1.15- site, B+1.15- is bonded in a 9-coordinate geometry to four equivalent Lu3+, one Ni3+, and four B+1.15- atoms. Both B–B bond lengths are 1.80 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1200891

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; Lu4NiB13; B-Lu-Ni

OSTI Identifier:: 1724709

DOI:: https://doi.org/10.17188/1724709

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                    The Materials Project. Materials Data on Lu4NiB13 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1724709.

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                    The Materials Project. Materials Data on Lu4NiB13 by Materials Project.  United States.  doi:https://doi.org/10.17188/1724709

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                    The Materials Project. 2020.  
"Materials Data on Lu4NiB13 by Materials Project".  United States.  doi:https://doi.org/10.17188/1724709.  https://www.osti.gov/servlets/purl/1724709. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1724709,

  title        = {Materials Data on Lu4NiB13 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Lu4NiB13 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Lu3+ is bonded in a 6-coordinate geometry to fifteen B+1.15- atoms. There are a spread of Lu–B bond distances ranging from 2.51–2.87 Å. Ni3+ is bonded in a 8-coordinate geometry to eight equivalent B+1.15- atoms. All Ni–B bond lengths are 2.15 Å. There are three inequivalent B+1.15- sites. In the first B+1.15- site, B+1.15- is bonded in a cuboctahedral geometry to four equivalent Lu3+ and eight equivalent B+1.15- atoms. All B–B bond lengths are 2.08 Å. In the second B+1.15- site, B+1.15- is bonded in a 3-coordinate geometry to six equivalent Lu3+ and three B+1.15- atoms. There is two shorter (1.76 Å) and one longer (1.86 Å) B–B bond length. In the third B+1.15- site, B+1.15- is bonded in a 9-coordinate geometry to four equivalent Lu3+, one Ni3+, and four B+1.15- atoms. Both B–B bond lengths are 1.80 Å.},

  doi          = {10.17188/1724709},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1724709

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