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DOE OSTI · 1758015

Materials Data on C(NO)2 by Materials Project

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Abstract

N2CO2 crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight ammonia molecules and eight (CO2)N clusters. In each (CO2)N cluster, C4+ is bonded in a 1-coordinate geometry to one N and two O2- atoms. The C–N bond length is 1.36 Å. There is one shorter (1.19 Å) and one longer (1.41 Å) C–O bond length. N is bonded in a 1-coordinate geometry to one C4+ and one O2- atom. The N–O bond length is 1.50 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one C4+ and one N atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C4+ atom.

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36 MATERIALS SCIENCEC(NO)2C-N-Ocrystal structure

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2020-09-03. Materials Data on C(NO)2 by Materials Project. https://doi.org/10.17188/1758015

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