Materials Data on La2GaNiO6 by Materials Project

doi:10.17188/1706760

Title: Materials Data on La2GaNiO6 by Materials Project

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Abstract

La2NiGaO6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. La3+ is bonded in a 3-coordinate geometry to nine equivalent O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.77 Å. Ni3+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent GaO6 octahedra. The corner-sharing octahedral tilt angles are 20°. All Ni–O bond lengths are 1.99 Å. Ga3+ is bonded to six equivalent O2- atoms to form GaO6 octahedra that share corners with six equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 20°. All Ga–O bond lengths are 1.98 Å. O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Ni3+, and one Ga3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1223246

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; La2GaNiO6; Ga-La-Ni-O

OSTI Identifier:: 1706760

DOI:: https://doi.org/10.17188/1706760

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                    The Materials Project. Materials Data on La2GaNiO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1706760.

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                    The Materials Project. Materials Data on La2GaNiO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1706760

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                    The Materials Project. 2020.  
"Materials Data on La2GaNiO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1706760.  https://www.osti.gov/servlets/purl/1706760. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1706760,

  title        = {Materials Data on La2GaNiO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La2NiGaO6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. La3+ is bonded in a 3-coordinate geometry to nine equivalent O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.77 Å. Ni3+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent GaO6 octahedra. The corner-sharing octahedral tilt angles are 20°. All Ni–O bond lengths are 1.99 Å. Ga3+ is bonded to six equivalent O2- atoms to form GaO6 octahedra that share corners with six equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 20°. All Ga–O bond lengths are 1.98 Å. O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Ni3+, and one Ga3+ atom.},

  doi          = {10.17188/1706760},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1706760

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