Materials Data on CoH2(CN2)2 by Materials Project

doi:10.17188/1675926

Title: Materials Data on CoH2(CN2)2 by Materials Project

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Abstract

Co(HNCN)2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Co2+ is bonded to six N3- atoms to form edge-sharing CoN6 octahedra. There are two shorter (2.00 Å) and four longer (2.21 Å) Co–N bond lengths. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 4-coordinate geometry to two equivalent Co2+, one C4+, and one H1+ atom. The N–H bond length is 1.03 Å. In the second N3- site, N3- is bonded in a linear geometry to one Co2+ and one C4+ atom. H1+ is bonded in a single-bond geometry to one N3- atom.

Publication Date:: Thu Jan 10 23:00:00 EST 2019

Other Number(s):: mp-1181855

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-Co-H-N; CoH2(CN2)2; crystal structure

OSTI Identifier:: 1675926

DOI:: https://doi.org/10.17188/1675926

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                    Materials Data on CoH2(CN2)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1675926.

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                    Materials Data on CoH2(CN2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1675926

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                    2019.  
"Materials Data on CoH2(CN2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1675926.  https://www.osti.gov/servlets/purl/1675926. Pub date:Thu Jan 10 23:00:00 EST 2019

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@article{osti_1675926,

  title        = {Materials Data on CoH2(CN2)2 by Materials Project},

  
  abstractNote = {Co(HNCN)2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Co2+ is bonded to six N3- atoms to form edge-sharing CoN6 octahedra. There are two shorter (2.00 Å) and four longer (2.21 Å) Co–N bond lengths. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 4-coordinate geometry to two equivalent Co2+, one C4+, and one H1+ atom. The N–H bond length is 1.03 Å. In the second N3- site, N3- is bonded in a linear geometry to one Co2+ and one C4+ atom. H1+ is bonded in a single-bond geometry to one N3- atom.},

  doi          = {10.17188/1675926},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jan 10 23:00:00 EST 2019},

  month        = {Thu Jan 10 23:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1675926

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