Materials Data on Fe3Ni3P2 by Materials Project

doi:10.17188/1687463

Title: Materials Data on Fe3Ni3P2 by Materials Project

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Abstract

Fe3Ni3P2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.50–2.79 Å. There are one shorter (2.26 Å) and one longer (2.37 Å) Fe–P bond lengths. In the second Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.49–2.80 Å. There are one shorter (2.30 Å) and one longer (2.34 Å) Fe–P bond lengths. In the third Fe site, Fe is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are two shorter (2.53 Å) and one longer (2.62 Å) Fe–Ni bond lengths. There are a spread of Fe–P bond distances ranging from 2.27–2.32 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 3-coordinate geometry to seven Fe, three Ni, and three P atoms. There are one shorter (2.52 Å) and two longer (2.68 Å) Ni–Ni bond lengths. There are a spread of Ni–Pmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1224865

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; Fe3Ni3P2; Fe-Ni-P

OSTI Identifier:: 1687463

DOI:: https://doi.org/10.17188/1687463

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                    The Materials Project. Materials Data on Fe3Ni3P2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1687463.

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                    The Materials Project. Materials Data on Fe3Ni3P2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1687463

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                    The Materials Project. 2020.  
"Materials Data on Fe3Ni3P2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1687463.  https://www.osti.gov/servlets/purl/1687463. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1687463,

  title        = {Materials Data on Fe3Ni3P2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Fe3Ni3P2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.50–2.79 Å. There are one shorter (2.26 Å) and one longer (2.37 Å) Fe–P bond lengths. In the second Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.49–2.80 Å. There are one shorter (2.30 Å) and one longer (2.34 Å) Fe–P bond lengths. In the third Fe site, Fe is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are two shorter (2.53 Å) and one longer (2.62 Å) Fe–Ni bond lengths. There are a spread of Fe–P bond distances ranging from 2.27–2.32 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 3-coordinate geometry to seven Fe, three Ni, and three P atoms. There are one shorter (2.52 Å) and two longer (2.68 Å) Ni–Ni bond lengths. There are a spread of Ni–P bond distances ranging from 2.22–2.36 Å. In the second Ni site, Ni is bonded in a 3-coordinate geometry to six Fe, four Ni, and three P atoms. There are a spread of Ni–Ni bond distances ranging from 2.55–2.68 Å. There are a spread of Ni–P bond distances ranging from 2.21–2.35 Å. In the third Ni site, Ni is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are one shorter (2.28 Å) and three longer (2.31 Å) Ni–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to four Fe and five Ni atoms. In the second P site, P is bonded in a 9-coordinate geometry to four Fe and five Ni atoms.},

  doi          = {10.17188/1687463},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1687463

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