MgSi2 is Zirconium Disilicide-like structured and crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a 8-coordinate geometry to four equivalent Si(1) and four equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to four equivalent Mg(1) and four equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to four equivalent Mg(1), two equivalent Si(2), and four equivalent Si(1) atoms.
MgSi2 is Zirconium Disilicide-like structured and crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a 8-coordinate geometry to four equivalent Si(1) and four equivalent Si(2) atoms. There are a spread of Mg(1)-Si(1) bond distances ranging from 2.76-2.83 Å. There are two shorter (2.92 Å) and two longer (3.05 Å) Mg(1)-Si(2) bond lengths. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to four equivalent Mg(1) and four equivalent Si(2) atoms. There are two shorter (2.49 Å) and two longer (2.63 Å) Si(1)-Si(2) bond lengths. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to four equivalent Mg(1), two equivalent Si(2), and four equivalent Si(1) atoms. Both Si(2)-Si(2) bond lengths are 2.69 Å.