Materials Data on MgSi3 by Materials Project
MgSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Si atoms to form a mixture of face and corner-sharing MgSi12 cuboctahedra. There are six shorter (2.83 Å) and six longer (2.95 Å) Mg–Si bond lengths. Si is bonded in a 4-coordinate geometry to four equivalent Mg and six equivalent Si atoms. There are two shorter (2.60 Å) and four longer (2.80 Å) Si–Si bond lengths.
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