Materials Data on Ni(CO2)2 by Materials Project

doi:10.17188/1722130

Title: Materials Data on Ni(CO2)2 by Materials Project

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Abstract

NiC2O4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ni2+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Ni–O bond distances ranging from 1.99–2.25 Å. C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Ni2+ and one C3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ni2+ and one C3+ atom.

Publication Date:: 2018-07-18

Other Number(s):: mp-1104034

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; C-Ni-O; Ni(CO2)2; crystal structure

OSTI Identifier:: 1722130

DOI:: https://doi.org/10.17188/1722130

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                    Materials Data on Ni(CO2)2 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1722130.

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                    Materials Data on Ni(CO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1722130

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                    2018.  
"Materials Data on Ni(CO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1722130.  https://www.osti.gov/servlets/purl/1722130. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1722130,

  title        = {Materials Data on Ni(CO2)2 by Materials Project},

  
  abstractNote = {NiC2O4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ni2+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Ni–O bond distances ranging from 1.99–2.25 Å. C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Ni2+ and one C3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ni2+ and one C3+ atom.},

  doi          = {10.17188/1722130},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1722130

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