Materials Data on NiSe2 by Materials Project

doi:10.17188/1196097

Title: Materials Data on NiSe2 by Materials Project

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Abstract

NiSe2 is pyrite-like structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Ni4+ is bonded to six equivalent Se2- atoms to form corner-sharing NiSe6 octahedra. The corner-sharing octahedral tilt angles are 63°. All Ni–Se bond lengths are 2.46 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Ni4+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-20901

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; NiSe2; Ni-Se

OSTI Identifier:: 1196097

DOI:: https://doi.org/10.17188/1196097

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                    The Materials Project. Materials Data on NiSe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1196097.

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                    The Materials Project. Materials Data on NiSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1196097

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                    The Materials Project. 2020.  
"Materials Data on NiSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1196097.  https://www.osti.gov/servlets/purl/1196097. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1196097,

  title        = {Materials Data on NiSe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NiSe2 is pyrite-like structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Ni4+ is bonded to six equivalent Se2- atoms to form corner-sharing NiSe6 octahedra. The corner-sharing octahedral tilt angles are 63°. All Ni–Se bond lengths are 2.46 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Ni4+ atoms.},

  doi          = {10.17188/1196097},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1196097

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