Materials Data on C(N2O)2 by Materials Project

doi:10.17188/1675798

Title: Materials Data on C(N2O)2 by Materials Project

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Abstract

C(N2O)2 crystallizes in the orthorhombic Fdd2 space group. The structure is zero-dimensional and consists of sixteen 2-nitroguanidine molecules. C4+ is bonded in a trigonal planar geometry to three N atoms. There are a spread of C–N bond distances ranging from 1.34–1.40 Å. There are four inequivalent N sites. In the first N site, N is bonded in a distorted single-bond geometry to one C4+ atom. In the second N site, N is bonded in a single-bond geometry to one C4+ atom. In the third N site, N is bonded in a distorted bent 120 degrees geometry to one C4+ and one N atom. The N–N bond length is 1.41 Å. In the fourth N site, N is bonded in a distorted trigonal planar geometry to one N and two O2- atoms. There is one shorter (1.23 Å) and one longer (1.24 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1194028

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; C(N2O)2; C-N-O

OSTI Identifier:: 1675798

DOI:: https://doi.org/10.17188/1675798

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                    The Materials Project. Materials Data on C(N2O)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1675798.

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                    The Materials Project. Materials Data on C(N2O)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1675798

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                    The Materials Project. 2020.  
"Materials Data on C(N2O)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1675798.  https://www.osti.gov/servlets/purl/1675798. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1675798,

  title        = {Materials Data on C(N2O)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {C(N2O)2 crystallizes in the orthorhombic Fdd2 space group. The structure is zero-dimensional and consists of sixteen 2-nitroguanidine molecules. C4+ is bonded in a trigonal planar geometry to three N atoms. There are a spread of C–N bond distances ranging from 1.34–1.40 Å. There are four inequivalent N sites. In the first N site, N is bonded in a distorted single-bond geometry to one C4+ atom. In the second N site, N is bonded in a single-bond geometry to one C4+ atom. In the third N site, N is bonded in a distorted bent 120 degrees geometry to one C4+ and one N atom. The N–N bond length is 1.41 Å. In the fourth N site, N is bonded in a distorted trigonal planar geometry to one N and two O2- atoms. There is one shorter (1.23 Å) and one longer (1.24 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N atom.},

  doi          = {10.17188/1675798},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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