Materials Data on NiBi3 by Materials Project

doi:10.17188/1199299

Title: Materials Data on NiBi3 by Materials Project

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Abstract

NiBi3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two NiBi3 ribbons oriented in the (1, 0, 0) direction. Ni is bonded in a 9-coordinate geometry to two equivalent Ni and seven Bi atoms. Both Ni–Ni bond lengths are 2.65 Å. There are a spread of Ni–Bi bond distances ranging from 2.73–2.79 Å. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a single-bond geometry to one Ni atom. In the second Bi site, Bi is bonded in a 3-coordinate geometry to three equivalent Ni atoms. In the third Bi site, Bi is bonded in a 3-coordinate geometry to three equivalent Ni atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-23179

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; NiBi3; Bi-Ni

OSTI Identifier:: 1199299

DOI:: https://doi.org/10.17188/1199299

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                    The Materials Project. Materials Data on NiBi3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199299.

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                    The Materials Project. Materials Data on NiBi3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199299

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                    The Materials Project. 2020.  
"Materials Data on NiBi3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199299.  https://www.osti.gov/servlets/purl/1199299. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1199299,

  title        = {Materials Data on NiBi3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NiBi3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two NiBi3 ribbons oriented in the (1, 0, 0) direction. Ni is bonded in a 9-coordinate geometry to two equivalent Ni and seven Bi atoms. Both Ni–Ni bond lengths are 2.65 Å. There are a spread of Ni–Bi bond distances ranging from 2.73–2.79 Å. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a single-bond geometry to one Ni atom. In the second Bi site, Bi is bonded in a 3-coordinate geometry to three equivalent Ni atoms. In the third Bi site, Bi is bonded in a 3-coordinate geometry to three equivalent Ni atoms.},

  doi          = {10.17188/1199299},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199299

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