Materials Data on TbNiP by Materials Project

doi:10.17188/1752733

Title: Materials Data on TbNiP by Materials Project

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Abstract

TbNiP 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 Tb sites. In the first Tb site, Tb is bonded to six equivalent Ni and six equivalent P atoms to form a mixture of edge and face-sharing TbNi6P6 cuboctahedra. All Tb–Ni bond lengths are 2.95 Å. All Tb–P bond lengths are 3.00 Å. In the second Tb site, Tb is bonded to six equivalent Ni and six equivalent P atoms to form a mixture of edge and face-sharing TbNi6P6 cuboctahedra. All Tb–Ni bond lengths are 3.01 Å. All Tb–P bond lengths are 2.95 Å. Ni is bonded in a 3-coordinate geometry to six Tb and three equivalent P atoms. All Ni–P bond lengths are 2.26 Å. P is bonded in a 3-coordinate geometry to six Tb and three equivalent Ni atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1208320

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; TbNiP; Ni-P-Tb

OSTI Identifier:: 1752733

DOI:: https://doi.org/10.17188/1752733

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                    The Materials Project. Materials Data on TbNiP by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1752733.

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                    The Materials Project. Materials Data on TbNiP by Materials Project.  United States.  doi:https://doi.org/10.17188/1752733

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                    The Materials Project. 2020.  
"Materials Data on TbNiP by Materials Project".  United States.  doi:https://doi.org/10.17188/1752733.  https://www.osti.gov/servlets/purl/1752733. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1752733,

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

  author       = {The Materials Project},

  abstractNote = {TbNiP 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 Tb sites. In the first Tb site, Tb is bonded to six equivalent Ni and six equivalent P atoms to form a mixture of edge and face-sharing TbNi6P6 cuboctahedra. All Tb–Ni bond lengths are 2.95 Å. All Tb–P bond lengths are 3.00 Å. In the second Tb site, Tb is bonded to six equivalent Ni and six equivalent P atoms to form a mixture of edge and face-sharing TbNi6P6 cuboctahedra. All Tb–Ni bond lengths are 3.01 Å. All Tb–P bond lengths are 2.95 Å. Ni is bonded in a 3-coordinate geometry to six Tb and three equivalent P atoms. All Ni–P bond lengths are 2.26 Å. P is bonded in a 3-coordinate geometry to six Tb and three equivalent Ni atoms.},

  doi          = {10.17188/1752733},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1752733

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