Materials Data on Cr2NiO4 by Materials Project

doi:10.17188/1194350

Title: Materials Data on Cr2NiO4 by Materials Project

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Abstract

NiCr2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent NiO4 tetrahedra and edges with six equivalent CrO6 octahedra. There are two shorter (2.02 Å) and four longer (2.03 Å) Cr–O bond lengths. Ni2+ is bonded to four equivalent O2- atoms to form NiO4 tetrahedra that share corners with twelve equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 53–61°. All Ni–O bond lengths are 2.00 Å. O2- is bonded in a rectangular see-saw-like geometry to three equivalent Cr3+ and one Ni2+ atom.

Authors:: The Materials Project

Publication Date:: Mon Aug 03 00:00:00 EDT 2020

Other Number(s):: mp-19344

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; Cr2NiO4; Cr-Ni-O

OSTI Identifier:: 1194350

DOI:: https://doi.org/10.17188/1194350

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                    The Materials Project. Materials Data on Cr2NiO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1194350.

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                    The Materials Project. Materials Data on Cr2NiO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1194350

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                    The Materials Project. 2020.  
"Materials Data on Cr2NiO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1194350.  https://www.osti.gov/servlets/purl/1194350. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1194350,

  title        = {Materials Data on Cr2NiO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NiCr2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent NiO4 tetrahedra and edges with six equivalent CrO6 octahedra. There are two shorter (2.02 Å) and four longer (2.03 Å) Cr–O bond lengths. Ni2+ is bonded to four equivalent O2- atoms to form NiO4 tetrahedra that share corners with twelve equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 53–61°. All Ni–O bond lengths are 2.00 Å. O2- is bonded in a rectangular see-saw-like geometry to three equivalent Cr3+ and one Ni2+ atom.},

  doi          = {10.17188/1194350},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Aug 03 00:00:00 EDT 2020},

  month        = {Mon Aug 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1194350

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