Materials Data on Al(Ni10B7)2 by Materials Project

doi:10.17188/1262549

Title: Materials Data on Al(Ni10B7)2 by Materials Project

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Abstract

Ni20AlB14 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four aluminum molecules and one Ni10B7 framework. In the Ni10B7 framework, there are two inequivalent Ni+1.95+ sites. In the first Ni+1.95+ site, Ni+1.95+ is bonded in a 6-coordinate geometry to six B3- atoms. There are three shorter (2.13 Å) and three longer (2.26 Å) Ni–B bond lengths. In the second Ni+1.95+ site, Ni+1.95+ is bonded in a square co-planar geometry to four B3- atoms. There are two shorter (2.05 Å) and two longer (2.13 Å) Ni–B bond lengths. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to six Ni+1.95+ and three equivalent B3- atoms. All B–B bond lengths are 1.81 Å. In the second B3- site, B3- is bonded in a 8-coordinate geometry to eight Ni+1.95+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-505473

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; Al(Ni10B7)2; Al-B-Ni

OSTI Identifier:: 1262549

DOI:: https://doi.org/10.17188/1262549

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                    The Materials Project. Materials Data on Al(Ni10B7)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262549.

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                    The Materials Project. Materials Data on Al(Ni10B7)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262549

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                    The Materials Project. 2020.  
"Materials Data on Al(Ni10B7)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262549.  https://www.osti.gov/servlets/purl/1262549. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1262549,

  title        = {Materials Data on Al(Ni10B7)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ni20AlB14 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four aluminum molecules and one Ni10B7 framework. In the Ni10B7 framework, there are two inequivalent Ni+1.95+ sites. In the first Ni+1.95+ site, Ni+1.95+ is bonded in a 6-coordinate geometry to six B3- atoms. There are three shorter (2.13 Å) and three longer (2.26 Å) Ni–B bond lengths. In the second Ni+1.95+ site, Ni+1.95+ is bonded in a square co-planar geometry to four B3- atoms. There are two shorter (2.05 Å) and two longer (2.13 Å) Ni–B bond lengths. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to six Ni+1.95+ and three equivalent B3- atoms. All B–B bond lengths are 1.81 Å. In the second B3- site, B3- is bonded in a 8-coordinate geometry to eight Ni+1.95+ atoms.},

  doi          = {10.17188/1262549},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1262549

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