Materials Data on NdNi4B by Materials Project

doi:10.17188/1272992

Title: Materials Data on NdNi4B by Materials Project

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Abstract

NdNi4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent B atoms. All Nd–Ni bond lengths are 2.91 Å. All Nd–B bond lengths are 2.92 Å. In the second Nd site, Nd is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. All Nd–Ni bond lengths are 2.92 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Nd and six equivalent Ni atoms. All Ni–Ni bond lengths are 2.51 Å. In the second Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Nd, two equivalent Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.05 Å. B is bonded in a 6-coordinate geometry to three equivalent Nd and six equivalent Ni atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-8048

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; NdNi4B; B-Nd-Ni

OSTI Identifier:: 1272992

DOI:: https://doi.org/10.17188/1272992

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                    The Materials Project. Materials Data on NdNi4B by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1272992.

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                    The Materials Project. Materials Data on NdNi4B by Materials Project.  United States.  doi:https://doi.org/10.17188/1272992

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                    The Materials Project. 2020.  
"Materials Data on NdNi4B by Materials Project".  United States.  doi:https://doi.org/10.17188/1272992.  https://www.osti.gov/servlets/purl/1272992. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1272992,

  title        = {Materials Data on NdNi4B by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdNi4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent B atoms. All Nd–Ni bond lengths are 2.91 Å. All Nd–B bond lengths are 2.92 Å. In the second Nd site, Nd is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. All Nd–Ni bond lengths are 2.92 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Nd and six equivalent Ni atoms. All Ni–Ni bond lengths are 2.51 Å. In the second Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Nd, two equivalent Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.05 Å. B is bonded in a 6-coordinate geometry to three equivalent Nd and six equivalent Ni atoms.},

  doi          = {10.17188/1272992},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1272992

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