Materials Data on Nd2NiB10 by Materials Project

doi:10.17188/1198378

Title: Materials Data on Nd2NiB10 by Materials Project

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Abstract

Nd2NiB10 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Nd+2.50+ is bonded in a 4-coordinate geometry to twenty B+0.60- atoms. There are a spread of Nd–B bond distances ranging from 2.88–3.02 Å. Ni1+ is bonded in a 8-coordinate geometry to eight B+0.60- atoms. There are a spread of Ni–B bond distances ranging from 2.12–2.16 Å. There are four inequivalent B+0.60- sites. In the first B+0.60- site, B+0.60- is bonded in a 9-coordinate geometry to four equivalent Nd+2.50+, one Ni1+, and four B+0.60- atoms. There are a spread of B–B bond distances ranging from 1.69–1.79 Å. In the second B+0.60- site, B+0.60- is bonded in a 1-coordinate geometry to four equivalent Nd+2.50+ and five B+0.60- atoms. There are a spread of B–B bond distances ranging from 1.68–1.76 Å. In the third B+0.60- site, B+0.60- is bonded in a 9-coordinate geometry to four equivalent Nd+2.50+, one Ni1+, and four B+0.60- atoms. There is one shorter (1.68 Å) and one longer (1.78 Å) B–B bond length. In the fourth B+0.60- site, B+0.60- is bonded in a 1-coordinate geometry to four equivalent Nd+2.50+, one Ni1+, and four B+0.60- atoms.

Authors:: The Materials Project

Publication Date:: Tue Jul 21 00:00:00 EDT 2020

Other Number(s):: mp-22471

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; Nd2NiB10; B-Nd-Ni

OSTI Identifier:: 1198378

DOI:: https://doi.org/10.17188/1198378

Citation Formats


                    The Materials Project. Materials Data on Nd2NiB10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1198378.

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                    The Materials Project. Materials Data on Nd2NiB10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1198378

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                    The Materials Project. 2020.  
"Materials Data on Nd2NiB10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1198378.  https://www.osti.gov/servlets/purl/1198378. Pub date:Tue Jul 21 00:00:00 EDT 2020

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@article{osti_1198378,

  title        = {Materials Data on Nd2NiB10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nd2NiB10 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Nd+2.50+ is bonded in a 4-coordinate geometry to twenty B+0.60- atoms. There are a spread of Nd–B bond distances ranging from 2.88–3.02 Å. Ni1+ is bonded in a 8-coordinate geometry to eight B+0.60- atoms. There are a spread of Ni–B bond distances ranging from 2.12–2.16 Å. There are four inequivalent B+0.60- sites. In the first B+0.60- site, B+0.60- is bonded in a 9-coordinate geometry to four equivalent Nd+2.50+, one Ni1+, and four B+0.60- atoms. There are a spread of B–B bond distances ranging from 1.69–1.79 Å. In the second B+0.60- site, B+0.60- is bonded in a 1-coordinate geometry to four equivalent Nd+2.50+ and five B+0.60- atoms. There are a spread of B–B bond distances ranging from 1.68–1.76 Å. In the third B+0.60- site, B+0.60- is bonded in a 9-coordinate geometry to four equivalent Nd+2.50+, one Ni1+, and four B+0.60- atoms. There is one shorter (1.68 Å) and one longer (1.78 Å) B–B bond length. In the fourth B+0.60- site, B+0.60- is bonded in a 1-coordinate geometry to four equivalent Nd+2.50+, one Ni1+, and four B+0.60- atoms.},

  doi          = {10.17188/1198378},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 21 00:00:00 EDT 2020},

  month        = {Tue Jul 21 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1198378

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