Materials Data on InNi2SbO6 by Materials Project

doi:10.17188/1753675

Title: Materials Data on InNi2SbO6 by Materials Project

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Abstract

Ni2InSbO6 is Corundum-derived structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded to six O2- atoms to form distorted NiO6 octahedra that share corners with three equivalent SbO6 octahedra, corners with six equivalent NiO6 octahedra, edges with three equivalent InO6 octahedra, and a faceface with one SbO6 octahedra. The corner-sharing octahedra tilt angles range from 44–58°. There are three shorter (2.07 Å) and three longer (2.17 Å) Ni–O bond lengths. In the second Ni2+ site, Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with three equivalent InO6 octahedra, corners with six equivalent NiO6 octahedra, edges with three equivalent SbO6 octahedra, and a faceface with one InO6 octahedra. The corner-sharing octahedra tilt angles range from 44–64°. There are three shorter (2.05 Å) and three longer (2.16 Å) Ni–O bond lengths. In3+ is bonded to six O2- atoms to form distorted InO6 octahedra that share corners with three equivalent NiO6 octahedra, corners with six equivalent SbO6 octahedra, edges with three equivalent NiO6 octahedra, and a faceface with one NiO6 octahedra. The corner-sharing octahedra tilt angles range from 46–64°.more »« less

Authors:: The Materials Project

Publication Date:: 2020-05-09

Other Number(s):: mp-1078367

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; InNi2SbO6; In-Ni-O-Sb

OSTI Identifier:: 1753675

DOI:: https://doi.org/10.17188/1753675

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                    The Materials Project. Materials Data on InNi2SbO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1753675.

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                    The Materials Project. Materials Data on InNi2SbO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1753675

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                    The Materials Project. 2020.  
"Materials Data on InNi2SbO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1753675.  https://www.osti.gov/servlets/purl/1753675. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1753675,

  title        = {Materials Data on InNi2SbO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ni2InSbO6 is Corundum-derived structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded to six O2- atoms to form distorted NiO6 octahedra that share corners with three equivalent SbO6 octahedra, corners with six equivalent NiO6 octahedra, edges with three equivalent InO6 octahedra, and a faceface with one SbO6 octahedra. The corner-sharing octahedra tilt angles range from 44–58°. There are three shorter (2.07 Å) and three longer (2.17 Å) Ni–O bond lengths. In the second Ni2+ site, Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with three equivalent InO6 octahedra, corners with six equivalent NiO6 octahedra, edges with three equivalent SbO6 octahedra, and a faceface with one InO6 octahedra. The corner-sharing octahedra tilt angles range from 44–64°. There are three shorter (2.05 Å) and three longer (2.16 Å) Ni–O bond lengths. In3+ is bonded to six O2- atoms to form distorted InO6 octahedra that share corners with three equivalent NiO6 octahedra, corners with six equivalent SbO6 octahedra, edges with three equivalent NiO6 octahedra, and a faceface with one NiO6 octahedra. The corner-sharing octahedra tilt angles range from 46–64°. There are three shorter (2.12 Å) and three longer (2.28 Å) In–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with three equivalent NiO6 octahedra, corners with six equivalent InO6 octahedra, edges with three equivalent NiO6 octahedra, and a faceface with one NiO6 octahedra. The corner-sharing octahedra tilt angles range from 46–58°. There are three shorter (2.00 Å) and three longer (2.05 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ni2+, one In3+, and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OInNi2Sb trigonal pyramids. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to two Ni2+, one In3+, and one Sb5+ atom.},

  doi          = {10.17188/1753675},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1753675

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