Materials Data on Ca2Zn by Materials Project
Ca2Zn is zeta iron carbide structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Ca is bonded in a 3-coordinate geometry to three equivalent Zn atoms. There are one shorter (2.98 Å) and two longer (3.03 Å) Ca–Zn bond lengths. Zn is bonded to six equivalent Ca atoms to form a mixture of edge and corner-sharing ZnCa6 octahedra. The corner-sharing octahedral tilt angles are 41°.
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