Materials Data on MgS2 by Materials Project

MgS2 is Marcasite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent S1- atoms to form edge-sharing MgS6 octahedra. All Mg–S bond lengths are 2.61 Å. S1- is bonded in a 4-coordinate geometry to three equivalent Mg2+ and one S1- atom. The S–S bond length is 2.10 Å.

二硫化镁（MgS₂）具有白铁矿型结构，以单斜晶系C2/m空间群结晶。其结构为三维结构。镁离子（Mg²+）与六个等价的硫离子（S¹⁻）成键，形成共边MgS₆八面体。所有Mg-S键长均为2.61埃。硫离子（S¹⁻）以四配位几何构型成键，与三个等价的镁离子和一个硫离子相连，其S-S键长为2.10埃。