Materials Data on Ta5(NiP)4 by Materials Project

doi:10.17188/1704239

Title: Materials Data on Ta5(NiP)4 by Materials Project

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Abstract

Ta5(NiP)4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 5-coordinate geometry to five equivalent P atoms. There are a spread of Ta–P bond distances ranging from 2.57–2.71 Å. In the second Ta site, Ta is bonded in a square co-planar geometry to four equivalent P atoms. All Ta–P bond lengths are 2.62 Å. Ni is bonded in a 3-coordinate geometry to three equivalent P atoms. There are two shorter (2.21 Å) and one longer (2.25 Å) Ni–P bond lengths. P is bonded in a 9-coordinate geometry to six Ta and three equivalent Ni atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1104139

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; Ta5(NiP)4; Ni-P-Ta

OSTI Identifier:: 1704239

DOI:: https://doi.org/10.17188/1704239

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                    The Materials Project. Materials Data on Ta5(NiP)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1704239.

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                    The Materials Project. Materials Data on Ta5(NiP)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1704239

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                    The Materials Project. 2020.  
"Materials Data on Ta5(NiP)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1704239.  https://www.osti.gov/servlets/purl/1704239. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1704239,

  title        = {Materials Data on Ta5(NiP)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ta5(NiP)4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 5-coordinate geometry to five equivalent P atoms. There are a spread of Ta–P bond distances ranging from 2.57–2.71 Å. In the second Ta site, Ta is bonded in a square co-planar geometry to four equivalent P atoms. All Ta–P bond lengths are 2.62 Å. Ni is bonded in a 3-coordinate geometry to three equivalent P atoms. There are two shorter (2.21 Å) and one longer (2.25 Å) Ni–P bond lengths. P is bonded in a 9-coordinate geometry to six Ta and three equivalent Ni atoms.},

  doi          = {10.17188/1704239},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1704239

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