Materials Data on NiHO2 by Materials Project

doi:10.17188/1317549

Title: Materials Data on NiHO2 by Materials Project

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Abstract

NiOOH crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one NiOOH sheet oriented in the (0, 0, 1) direction. Ni3+ is bonded to six O2- atoms to form edge-sharing NiO6 octahedra. There is three shorter (1.98 Å) and three longer (2.00 Å) Ni–O bond length. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Ni3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ni3+ and one H1+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-999337

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; NiHO2; H-Ni-O

OSTI Identifier:: 1317549

DOI:: https://doi.org/10.17188/1317549

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                    The Materials Project. Materials Data on NiHO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317549.

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                    The Materials Project. Materials Data on NiHO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1317549

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                    The Materials Project. 2020.  
"Materials Data on NiHO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1317549.  https://www.osti.gov/servlets/purl/1317549. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1317549,

  title        = {Materials Data on NiHO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NiOOH crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one NiOOH sheet oriented in the (0, 0, 1) direction. Ni3+ is bonded to six O2- atoms to form edge-sharing NiO6 octahedra. There is three shorter (1.98 Å) and three longer (2.00 Å) Ni–O bond length. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Ni3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ni3+ and one H1+ atom.},

  doi          = {10.17188/1317549},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1317549

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