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DOE OSTI · 1717451

Materials Data on MnC3NCl3 by Materials Project

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Abstract

MnCl3C3N crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four aziridine, 1-methyl- molecules and two MnCl3 ribbons oriented in the (1, 0, 0) direction. In each MnCl3 ribbon, Mn2+ is bonded to six Cl1- atoms to form face-sharing MnCl6 octahedra. There are four shorter (2.37 Å) and two longer (2.38 Å) Mn–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent Mn2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent Mn2+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent Mn2+ atoms.

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36 MATERIALS SCIENCEC-Cl-Mn-Ncrystal structureMnC3NCl3

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2020-05-02. Materials Data on MnC3NCl3 by Materials Project. https://doi.org/10.17188/1717451

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