Materials Data on ThFe2Ni3 by Materials Project

doi:10.17188/1745773

Title: Materials Data on ThFe2Ni3 by Materials Project

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Abstract

ThFe2Ni3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded in a 6-coordinate geometry to six equivalent Fe and twelve equivalent Ni atoms. All Th–Fe bond lengths are 2.88 Å. All Th–Ni bond lengths are 3.20 Å. Fe is bonded in a 12-coordinate geometry to three equivalent Th and six equivalent Ni atoms. All Fe–Ni bond lengths are 2.46 Å. Ni is bonded to four equivalent Th, four equivalent Fe, and four equivalent Ni atoms to form a mixture of distorted corner, edge, and face-sharing NiTh4Fe4Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.49 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1217336

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; ThFe2Ni3; Fe-Ni-Th

OSTI Identifier:: 1745773

DOI:: https://doi.org/10.17188/1745773

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                    The Materials Project. Materials Data on ThFe2Ni3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1745773.

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                    The Materials Project. Materials Data on ThFe2Ni3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1745773

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                    The Materials Project. 2020.  
"Materials Data on ThFe2Ni3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1745773.  https://www.osti.gov/servlets/purl/1745773. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1745773,

  title        = {Materials Data on ThFe2Ni3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ThFe2Ni3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded in a 6-coordinate geometry to six equivalent Fe and twelve equivalent Ni atoms. All Th–Fe bond lengths are 2.88 Å. All Th–Ni bond lengths are 3.20 Å. Fe is bonded in a 12-coordinate geometry to three equivalent Th and six equivalent Ni atoms. All Fe–Ni bond lengths are 2.46 Å. Ni is bonded to four equivalent Th, four equivalent Fe, and four equivalent Ni atoms to form a mixture of distorted corner, edge, and face-sharing NiTh4Fe4Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.49 Å.},

  doi          = {10.17188/1745773},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1745773

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