Materials Data on Nb5(NiP)4 by Materials Project

doi:10.17188/1187116

Title: Materials Data on Nb5(NiP)4 by Materials Project

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Abstract

Nb5(NiP)4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 5-coordinate geometry to five equivalent P atoms. There are a spread of Nb–P bond distances ranging from 2.59–2.72 Å. In the second Nb site, Nb is bonded in a square co-planar geometry to four equivalent P atoms. All Nb–P bond lengths are 2.65 Å. Ni is bonded in a 3-coordinate geometry to three equivalent P atoms. There are two shorter (2.22 Å) and one longer (2.27 Å) Ni–P bond lengths. P is bonded in a 9-coordinate geometry to six Nb and three equivalent Ni atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-10430

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; Nb5(NiP)4; Nb-Ni-P

OSTI Identifier:: 1187116

DOI:: https://doi.org/10.17188/1187116

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                    The Materials Project. Materials Data on Nb5(NiP)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187116.

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                    The Materials Project. Materials Data on Nb5(NiP)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187116

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                    The Materials Project. 2020.  
"Materials Data on Nb5(NiP)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187116.  https://www.osti.gov/servlets/purl/1187116. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1187116,

  title        = {Materials Data on Nb5(NiP)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nb5(NiP)4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 5-coordinate geometry to five equivalent P atoms. There are a spread of Nb–P bond distances ranging from 2.59–2.72 Å. In the second Nb site, Nb is bonded in a square co-planar geometry to four equivalent P atoms. All Nb–P bond lengths are 2.65 Å. Ni is bonded in a 3-coordinate geometry to three equivalent P atoms. There are two shorter (2.22 Å) and one longer (2.27 Å) Ni–P bond lengths. P is bonded in a 9-coordinate geometry to six Nb and three equivalent Ni atoms.},

  doi          = {10.17188/1187116},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1187116

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