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DOE OSTI · 1736689

Materials Data on MgN8 by Materials Project

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Abstract

MgN8 crystallizes in the tetragonal I4/m space group. The structure is two-dimensional and consists of two MgN8 sheets oriented in the (0, 0, 1) direction. Mg2+ is bonded in an octahedral geometry to six N+0.25- atoms. There are four shorter (2.09 Å) and two longer (2.36 Å) Mg–N bond lengths. There are three inequivalent N+0.25- sites. In the first N+0.25- site, N+0.25- is bonded in a single-bond geometry to one Mg2+ atom. In the second N+0.25- site, N+0.25- is bonded in a linear geometry to two equivalent N+0.25- atoms. Both N–N bond lengths are 1.18 Å. In the third N+0.25- site, N+0.25- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one N+0.25- atom.

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36 MATERIALS SCIENCEcrystal structureMg-NMgN8

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2020-04-26. Materials Data on MgN8 by Materials Project. https://doi.org/10.17188/1736689

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