Materials Data on Ca(ZnSi)2 by Materials Project
CaZn2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight equivalent Zn and eight equivalent Si atoms. All Ca–Zn bond lengths are 3.31 Å. All Ca–Si bond lengths are 3.23 Å. Zn is bonded to four equivalent Ca and four equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing ZnCa4Si4 tetrahedra. All Zn–Si bond lengths are 2.53 Å. Si is bonded in a 9-coordinate geometry to four equivalent Ca, four equivalent Zn, and one Si atom. The Si–Si bond length is 2.35 Å.
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