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DOE OSTI · 1738246

Materials Data on Mn4NO8 by Materials Project

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Abstract

Mn4NO8 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Mn+4.75+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Mn–O bond distances ranging from 1.92–1.96 Å. N3- is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. All N–O bond lengths are 2.95 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Mn+4.75+ and two equivalent N3- atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Mn+4.75+ atoms.

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36 MATERIALS SCIENCEcrystal structureMn-N-OMn4NO8

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2020-05-05. Materials Data on Mn4NO8 by Materials Project. https://doi.org/10.17188/1738246

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