Materials Data on Ca(AlGa)2 by Materials Project
Ca(GaAl)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight equivalent Ga and eight equivalent Al atoms. All Ca–Ga bond lengths are 3.28 Å. All Ca–Al bond lengths are 3.49 Å. Ga is bonded in a 9-coordinate geometry to four equivalent Ca, one Ga, and four equivalent Al atoms. The Ga–Ga bond length is 2.49 Å. All Ga–Al bond lengths are 2.62 Å. Al is bonded to four equivalent Ca and four equivalent Ga atoms to form a mixture of distorted edge, face, and corner-sharing AlCa4Ga4 tetrahedra.