CaZn2Si2 crystallizes in the tetragonal I4/mmm space group. Ca(1) is bonded in a 16-coordinate geometry to eight equivalent Zn(1) and eight equivalent Si(1) atoms. Zn(1) is bonded to four equivalent Ca(1) and four equivalent Si(1) atoms to form a mixture of distorted corner, face, and edge-sharing ZnCa4Si4 tetrahedra. Si(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), four equivalent Zn(1), and one Si(1) atom.
CaZn2Si2 crystallizes in the tetragonal I4/mmm space group. Ca(1) is bonded in a 16-coordinate geometry to eight equivalent Zn(1) and eight equivalent Si(1) atoms. All Ca(1)-Zn(1) bond lengths are 3.29 Å. All Ca(1)-Si(1) bond lengths are 3.20 Å. Zn(1) is bonded to four equivalent Ca(1) and four equivalent Si(1) atoms to form a mixture of distorted corner, face, and edge-sharing ZnCa4Si4 tetrahedra. All Zn(1)-Si(1) bond lengths are 2.50 Å. Si(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), four equivalent Zn(1), and one Si(1) atom. The Si(1)-Si(1) bond length is 2.34 Å.