Materials Data on GaNiO3 by Materials Project

doi:10.17188/1738954

Title: Materials Data on GaNiO3 by Materials Project

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Abstract

NiGaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni3+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent NiO6 octahedra and faces with eight equivalent GaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 1.84 Å. Ga3+ is bonded to twelve equivalent O2- atoms to form GaO12 cuboctahedra that share corners with twelve equivalent GaO12 cuboctahedra, faces with six equivalent GaO12 cuboctahedra, and faces with eight equivalent NiO6 octahedra. All Ga–O bond lengths are 2.60 Å. O2- is bonded in a distorted linear geometry to two equivalent Ni3+ and four equivalent Ga3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-05

Other Number(s):: mp-1183983

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; GaNiO3; Ga-Ni-O

OSTI Identifier:: 1738954

DOI:: https://doi.org/10.17188/1738954

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                    The Materials Project. Materials Data on GaNiO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738954.

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                    The Materials Project. Materials Data on GaNiO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1738954

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                    The Materials Project. 2020.  
"Materials Data on GaNiO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1738954.  https://www.osti.gov/servlets/purl/1738954. Pub date:Tue May 05 00:00:00 EDT 2020

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@article{osti_1738954,

  title        = {Materials Data on GaNiO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NiGaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni3+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent NiO6 octahedra and faces with eight equivalent GaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 1.84 Å. Ga3+ is bonded to twelve equivalent O2- atoms to form GaO12 cuboctahedra that share corners with twelve equivalent GaO12 cuboctahedra, faces with six equivalent GaO12 cuboctahedra, and faces with eight equivalent NiO6 octahedra. All Ga–O bond lengths are 2.60 Å. O2- is bonded in a distorted linear geometry to two equivalent Ni3+ and four equivalent Ga3+ atoms.},

  doi          = {10.17188/1738954},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1738954

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