Materials Data on MnS2 by Materials Project

Kristin Persson
MnS2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Mn4+ is bonded to six equivalent S2- atoms to form corner-sharing MnS6 octahedra. The corner-sharing octahedral tilt angles are 64°. All Mn–S bond lengths are 2.30 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Mn4+ atoms.
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