Materials Data on Mg(FeS2)2 by Materials Project

Kristin Persson
Mg(FeS2)2 is Spinel structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to four S2- atoms to form MgS4 tetrahedra that share corners with twelve FeS6 octahedra. The corner-sharing octahedra tilt angles range from 60–61°. There are two shorter (2.42 Å) and two longer (2.43 Å) Mg–S bond lengths. In the second Mg2+ site, Mg2+ is bonded...
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