BaMg2Si2 crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded in a 16-coordinate geometry to eight equivalent Mg(1) and eight equivalent Si(1) atoms. Mg(1) is bonded to four equivalent Ba(1) and four equivalent Si(1) atoms to form a mixture of distorted edge, corner, and face-sharing MgBa4Si4 tetrahedra. Si(1) is bonded in a 9-coordinate geometry to four equivalent Ba(1), four equivalent Mg(1), and one Si(1) atom.
BaMg2Si2 crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded in a 16-coordinate geometry to eight equivalent Mg(1) and eight equivalent Si(1) atoms. All Ba(1)-Mg(1) bond lengths are 3.61 Å. All Ba(1)-Si(1) bond lengths are 3.52 Å. Mg(1) is bonded to four equivalent Ba(1) and four equivalent Si(1) atoms to form a mixture of distorted edge, corner, and face-sharing MgBa4Si4 tetrahedra. All Mg(1)-Si(1) bond lengths are 2.78 Å. Si(1) is bonded in a 9-coordinate geometry to four equivalent Ba(1), four equivalent Mg(1), and one Si(1) atom. The Si(1)-Si(1) bond length is 2.47 Å.