Materials Data on Ni2Sb2O7 by Materials Project

doi:10.17188/1678044

Title: Materials Data on Ni2Sb2O7 by Materials Project

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Abstract

Ni2Sb2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ni2+ is bonded to eight O2- atoms to form distorted NiO8 hexagonal bipyramids that share edges with six equivalent NiO8 hexagonal bipyramids and edges with six equivalent SbO6 octahedra. There are two shorter (2.21 Å) and six longer (2.49 Å) Ni–O bond lengths. Sb5+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent SbO6 octahedra and edges with six equivalent NiO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 49°. All Sb–O bond lengths are 1.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ni2+ and two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded to four equivalent Ni2+ atoms to form corner-sharing ONi4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1190650

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; Ni2Sb2O7; Ni-O-Sb

OSTI Identifier:: 1678044

DOI:: https://doi.org/10.17188/1678044

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                    The Materials Project. Materials Data on Ni2Sb2O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1678044.

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                    The Materials Project. Materials Data on Ni2Sb2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1678044

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                    The Materials Project. 2020.  
"Materials Data on Ni2Sb2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1678044.  https://www.osti.gov/servlets/purl/1678044. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1678044,

  title        = {Materials Data on Ni2Sb2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ni2Sb2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ni2+ is bonded to eight O2- atoms to form distorted NiO8 hexagonal bipyramids that share edges with six equivalent NiO8 hexagonal bipyramids and edges with six equivalent SbO6 octahedra. There are two shorter (2.21 Å) and six longer (2.49 Å) Ni–O bond lengths. Sb5+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent SbO6 octahedra and edges with six equivalent NiO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 49°. All Sb–O bond lengths are 1.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ni2+ and two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded to four equivalent Ni2+ atoms to form corner-sharing ONi4 tetrahedra.},

  doi          = {10.17188/1678044},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1678044

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