Materials Data on LuNiP by Materials Project

doi:10.17188/1728794

Title: Materials Data on LuNiP by Materials Project

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Abstract

LuNiP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded to six equivalent Ni and six equivalent P atoms to form a mixture of edge and face-sharing LuNi6P6 cuboctahedra. All Lu–Ni bond lengths are 2.96 Å. All Lu–P bond lengths are 2.87 Å. In the second Lu site, Lu is bonded to six equivalent Ni and six equivalent P atoms to form a mixture of edge and face-sharing LuNi6P6 cuboctahedra. All Lu–Ni bond lengths are 2.86 Å. All Lu–P bond lengths are 2.95 Å. Ni is bonded in a 3-coordinate geometry to six Lu and three equivalent P atoms. All Ni–P bond lengths are 2.22 Å. P is bonded in a 3-coordinate geometry to six Lu and three equivalent Ni atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1103289

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; LuNiP; Lu-Ni-P

OSTI Identifier:: 1728794

DOI:: https://doi.org/10.17188/1728794

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                    The Materials Project. Materials Data on LuNiP by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1728794.

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                    The Materials Project. Materials Data on LuNiP by Materials Project.  United States.  doi:https://doi.org/10.17188/1728794

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                    The Materials Project. 2020.  
"Materials Data on LuNiP by Materials Project".  United States.  doi:https://doi.org/10.17188/1728794.  https://www.osti.gov/servlets/purl/1728794. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1728794,

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

  author       = {The Materials Project},

  abstractNote = {LuNiP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded to six equivalent Ni and six equivalent P atoms to form a mixture of edge and face-sharing LuNi6P6 cuboctahedra. All Lu–Ni bond lengths are 2.96 Å. All Lu–P bond lengths are 2.87 Å. In the second Lu site, Lu is bonded to six equivalent Ni and six equivalent P atoms to form a mixture of edge and face-sharing LuNi6P6 cuboctahedra. All Lu–Ni bond lengths are 2.86 Å. All Lu–P bond lengths are 2.95 Å. Ni is bonded in a 3-coordinate geometry to six Lu and three equivalent P atoms. All Ni–P bond lengths are 2.22 Å. P is bonded in a 3-coordinate geometry to six Lu and three equivalent Ni atoms.},

  doi          = {10.17188/1728794},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1728794

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