Materials Data on MgSi2 by Materials Project

Abstract

MgSi2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.79–2.98 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to four equivalent Mg and three equivalent Si atoms. There are one shorter (2.38 Å) and two longer (2.39 Å) Si–Si bond lengths. In the second Si site, Si is bonded to three equivalent Mg and three equivalent Si atoms to form distorted edge-sharing SiMg3Si3 octahedra. There are one shorter (2.38 Å) and two longer (2.39 Å) Si–Si bond lengths.