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DOE OSTI · 1701586

Materials Data on Mn3AsN by Materials Project

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Abstract

(Mn3As)2N2 is (Cubic) Perovskite structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional and consists of one ammonia molecule and one Mn3As framework. In the Mn3As framework, there are three inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a linear geometry to two equivalent As3- atoms. Both Mn–As bond lengths are 2.30 Å. In the second Mn2+ site, Mn2+ is bonded in a linear geometry to two equivalent As3- atoms. Both Mn–As bond lengths are 2.30 Å. In the third Mn2+ site, Mn2+ is bonded in a linear geometry to two equivalent As3- atoms. Both Mn–As bond lengths are 2.18 Å. As3- is bonded to six Mn2+ atoms to form corner-sharing AsMn6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEAs-Mn-Ncrystal structureMn3AsN

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2020-05-02. Materials Data on Mn3AsN by Materials Project. https://doi.org/10.17188/1701586

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