Materials Data on Ni(AsO2)2 by Materials Project

doi:10.17188/1731748

Title: Materials Data on Ni(AsO2)2 by Materials Project

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Abstract

NiAs2O4 crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. Ni2+ is bonded to six O2- atoms to form edge-sharing NiO6 octahedra. There are four shorter (2.04 Å) and two longer (2.14 Å) Ni–O bond lengths. As3+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.76 Å) and two longer (1.89 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ni2+ and one As3+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Ni2+ and two equivalent As3+ atoms.

Publication Date:: 2020-05-02

Other Number(s):: mp-1096784

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; As-Ni-O; Ni(AsO2)2; crystal structure

OSTI Identifier:: 1731748

DOI:: https://doi.org/10.17188/1731748

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                    Materials Data on Ni(AsO2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1731748.

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                    Materials Data on Ni(AsO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1731748

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                    2020.  
"Materials Data on Ni(AsO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1731748.  https://www.osti.gov/servlets/purl/1731748. Pub date:Sat May 02 04:00:00 UTC 2020

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@article{osti_1731748,

  title        = {Materials Data on Ni(AsO2)2 by Materials Project},

  
  abstractNote = {NiAs2O4 crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. Ni2+ is bonded to six O2- atoms to form edge-sharing NiO6 octahedra. There are four shorter (2.04 Å) and two longer (2.14 Å) Ni–O bond lengths. As3+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.76 Å) and two longer (1.89 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ni2+ and one As3+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Ni2+ and two equivalent As3+ atoms.},

  doi          = {10.17188/1731748},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1731748

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