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DOE OSTI · 1283246

Materials Data on Cs3MoC6(SN2)3 by Materials Project

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Abstract

(Cs)3MoC6(N2S)3 crystallizes in the hexagonal P-6m2 space group. The structure is one-dimensional and consists of three cesium molecules and one MoC6(N2S)3 ribbon oriented in the (0, 0, 1) direction. In the MoC6(N2S)3 ribbon, Mo5+ is bonded in a distorted pentagonal pyramidal geometry to six equivalent N3- atoms. All Mo–N bond lengths are 2.07 Å. C+2.67+ is bonded in a distorted single-bond geometry to one N3- and one S2- atom. The C–N bond length is 1.21 Å. The C–S bond length is 1.84 Å. N3- is bonded in a linear geometry to one Mo5+ and one C+2.67+ atom. S2- is bonded in a distorted bent 150 degrees geometry to two equivalent C+2.67+ atoms.

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36 MATERIALS SCIENCEC-Cs-Mo-N-Scrystal structureCs3MoC6(SN2)3

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2020-04-30. Materials Data on Cs3MoC6(SN2)3 by Materials Project. https://doi.org/10.17188/1283246

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