Materials Data on Cr2NiO4 by Materials Project

doi:10.17188/1194191

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. All Cr–O bond lengths are 2.03 Å. 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 58–60°. All Ni–O bond lengths are 1.99 Å. O2- is bonded to three equivalent Cr3+ and one Ni2+ atom to form a mixture of distorted corner and edge-sharing OCr3Ni trigonal pyramids.

Authors:: The Materials Project

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

Other Number(s):: mp-19303

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:: 1194191

DOI:: https://doi.org/10.17188/1194191

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                    The Materials Project. Materials Data on Cr2NiO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1194191.

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                    The Materials Project. Materials Data on Cr2NiO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1194191

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                    The Materials Project. 2020.  
"Materials Data on Cr2NiO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1194191.  https://www.osti.gov/servlets/purl/1194191. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1194191,

  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. All Cr–O bond lengths are 2.03 Å. 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 58–60°. All Ni–O bond lengths are 1.99 Å. O2- is bonded to three equivalent Cr3+ and one Ni2+ atom to form a mixture of distorted corner and edge-sharing OCr3Ni trigonal pyramids.},

  doi          = {10.17188/1194191},

  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/10.17188/1194191

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