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DOE OSTI · 1279704

Materials Data on Mn4N by Materials Project

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Abstract

Mn4N crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional and consists of one ammonia molecule and one Mn framework. In the Mn framework, there are four inequivalent Mn sites. In the first Mn site, Mn is bonded to six Mn atoms to form corner-sharing MnMn6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.16 Å) and two longer (2.17 Å) Mn–Mn bond lengths. In the second Mn site, Mn is bonded in a linear geometry to two equivalent Mn atoms. In the third Mn site, Mn is bonded in a linear geometry to two equivalent Mn atoms. In the fourth Mn site, Mn is bonded in a linear geometry to two equivalent Mn atoms.

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36 MATERIALS SCIENCEcrystal structureMn-NMn4N

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2020-07-16. Materials Data on Mn4N by Materials Project. https://doi.org/10.17188/1279704

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