Materials Data on Na3Ni by Materials Project

doi:10.17188/1651515

Title: Materials Data on Na3Ni by Materials Project

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Abstract

Na3Ni is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a distorted body-centered cubic geometry to eight equivalent Na and six equivalent Ni atoms. All Na–Na bond lengths are 3.15 Å. All Na–Ni bond lengths are 3.64 Å. In the second Na site, Na is bonded to four equivalent Na and four equivalent Ni atoms to form a mixture of distorted edge, face, and corner-sharing NaNa4Ni4 tetrahedra. All Na–Ni bond lengths are 3.15 Å. Ni is bonded in a body-centered cubic geometry to fourteen Na atoms.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-1186073

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; Na3Ni; Na-Ni

OSTI Identifier:: 1651515

DOI:: https://doi.org/10.17188/1651515

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                    The Materials Project. Materials Data on Na3Ni by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1651515.

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                    The Materials Project. Materials Data on Na3Ni by Materials Project.  United States.  doi:https://doi.org/10.17188/1651515

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                    The Materials Project. 2020.  
"Materials Data on Na3Ni by Materials Project".  United States.  doi:https://doi.org/10.17188/1651515.  https://www.osti.gov/servlets/purl/1651515. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1651515,

  title        = {Materials Data on Na3Ni by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na3Ni is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a distorted body-centered cubic geometry to eight equivalent Na and six equivalent Ni atoms. All Na–Na bond lengths are 3.15 Å. All Na–Ni bond lengths are 3.64 Å. In the second Na site, Na is bonded to four equivalent Na and four equivalent Ni atoms to form a mixture of distorted edge, face, and corner-sharing NaNa4Ni4 tetrahedra. All Na–Ni bond lengths are 3.15 Å. Ni is bonded in a body-centered cubic geometry to fourteen Na atoms.},

  doi          = {10.17188/1651515},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1651515

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