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DOE OSTI · 1268366

Materials Data on MnH16C4(NCl2)2 by Materials Project

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Abstract

(C2H5NH3)2MnCl4 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of eight methane molecules; eight methylammonium molecules; and two MnCl4 sheets oriented in the (0, 0, 1) direction. In each MnCl4 sheet, Mn2+ is bonded to six Cl1- atoms to form corner-sharing MnCl6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are a spread of Mn–Cl bond distances ranging from 2.48–2.64 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Mn2+ atom. In the second Cl1- site, Cl1- is bonded in a distorted bent 150 degrees geometry to two equivalent Mn2+ atoms.

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36 MATERIALS SCIENCEC-Cl-H-Mn-Ncrystal structureMnH16C4(NCl2)2

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2020-04-30. Materials Data on MnH16C4(NCl2)2 by Materials Project. https://doi.org/10.17188/1268366

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