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Materials Data on Ca(ZnGe)2 by Materials Project

Ca(ZnGe)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 Zn and eight equivalent Ge atoms. All Ca–Zn bond lengths are 3.44 Å. All Ca–Ge bond lengths are 3.31 Å. Zn is bonded to four equivalent Ca and four equivalent Ge atoms to form a mixture of distorted edge, face, and corner-sharing ZnCa4Ge4 tetrahedra. All Zn–Ge bond lengths are 2.58 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ca, four equivalent Zn, and one Ge atom. The Ge–Ge bond length is 2.51 Å.

36 MATERIALS SCIENCE↗

Materials Data on CaZnGe by Materials Project

CaZnGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded to six equivalent Zn and six equivalent Ge atoms to form a mixture of edge and face-sharing CaZn6Ge6 cuboctahedra. All Ca–Zn bond lengths are 3.23 Å. All Ca–Ge bond lengths are 3.23 Å. Zn is bonded in a distorted trigonal planar geometry to six equivalent Ca and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.49 Å. Ge is bonded in a 3-coordinate geometry to six equivalent Ca and three equivalent Zn atoms.

36 MATERIALS SCIENCE↗

Materials Data on Ca2ZnGe by Materials Project

Ca2ZnGe crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ca2ZnGe ribbons oriented in the (1, 0, 0) direction. Ca is bonded in a linear geometry to one Zn and one Ge atom. The Ca–Zn bond length is 3.23 Å. The Ca–Ge bond length is 2.81 Å. Zn is bonded in a linear geometry to two equivalent Ca atoms. Ge is bonded in a linear geometry to two equivalent Ca atoms.

36 MATERIALS SCIENCE↗