Materials Data on Ni(AsO3)2 by Materials Project

doi:10.17188/1194391

Title: Materials Data on Ni(AsO3)2 by Materials Project

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Abstract

NiAs2O6 is zeta iron carbide-derived structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Ni2+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with twelve equivalent AsO6 octahedra. The corner-sharing octahedral tilt angles are 52°. All Ni–O bond lengths are 2.14 Å. As5+ is bonded to six equivalent O2- atoms to form AsO6 octahedra that share corners with six equivalent NiO6 octahedra and edges with three equivalent AsO6 octahedra. The corner-sharing octahedral tilt angles are 52°. All As–O bond lengths are 1.86 Å. O2- is bonded in a distorted trigonal planar geometry to one Ni2+ and two equivalent As5+ atoms.

Authors:: The Materials Project

Publication Date:: Mon Aug 03 00:00:00 EDT 2020

Other Number(s):: mp-19384

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; Ni(AsO3)2; As-Ni-O

OSTI Identifier:: 1194391

DOI:: https://doi.org/10.17188/1194391

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                    The Materials Project. Materials Data on Ni(AsO3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1194391.

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                    The Materials Project. Materials Data on Ni(AsO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1194391

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                    The Materials Project. 2020.  
"Materials Data on Ni(AsO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1194391.  https://www.osti.gov/servlets/purl/1194391. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1194391,

  title        = {Materials Data on Ni(AsO3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NiAs2O6 is zeta iron carbide-derived structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Ni2+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with twelve equivalent AsO6 octahedra. The corner-sharing octahedral tilt angles are 52°. All Ni–O bond lengths are 2.14 Å. As5+ is bonded to six equivalent O2- atoms to form AsO6 octahedra that share corners with six equivalent NiO6 octahedra and edges with three equivalent AsO6 octahedra. The corner-sharing octahedral tilt angles are 52°. All As–O bond lengths are 1.86 Å. O2- is bonded in a distorted trigonal planar geometry to one Ni2+ and two equivalent As5+ atoms.},

  doi          = {10.17188/1194391},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Aug 03 00:00:00 EDT 2020},

  month        = {Mon Aug 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1194391

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