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DOE OSTI · 1740696

Materials Data on NiC2(SN3)2 by Materials Project

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Abstract

NiC2(N3S)2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two NiC2(N3S)2 clusters. Ni2+ is bonded in an octahedral geometry to six N1- atoms. There is two shorter (1.81 Å) and four longer (1.92 Å) Ni–N bond length. C4+ is bonded in a distorted linear geometry to one N1- and one S2- atom. The C–N bond length is 1.19 Å. The C–S bond length is 1.59 Å. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a single-bond geometry to one Ni2+ atom. In the second N1- site, N1- is bonded in a linear geometry to one Ni2+ and one C4+ atom. S2- is bonded in a distorted single-bond geometry to one C4+ atom.

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36 MATERIALS SCIENCEC-N-Ni-Scrystal structureNiC2(SN3)2

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2020-05-02. Materials Data on NiC2(SN3)2 by Materials Project. https://doi.org/10.17188/1740696

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36 MATERIALS SCIENCE↗