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DOE OSTI · 1710003

Materials Data on Mn(AlS2)2 by Materials Project

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Abstract

MnAl2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent S2- atoms to form MnS4 tetrahedra that share corners with twelve equivalent AlS6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Mn–S bond lengths are 2.39 Å. Al3+ is bonded to six equivalent S2- atoms to form AlS6 octahedra that share corners with six equivalent MnS4 tetrahedra and edges with six equivalent AlS6 octahedra. All Al–S bond lengths are 2.44 Å. S2- is bonded to one Mn2+ and three equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing SMnAl3 trigonal pyramids.

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36 MATERIALS SCIENCEAl-Mn-Scrystal structureMn(AlS2)2

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2020-05-09. Materials Data on Mn(AlS2)2 by Materials Project. https://doi.org/10.17188/1710003

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