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Materials Data on CaGaGeH by Materials Project

CaGaGeH crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Ca is bonded in a distorted trigonal planar geometry to three equivalent Ge and three equivalent H atoms. All Ca–Ge bond lengths are 3.15 Å. All Ca–H bond lengths are 2.42 Å. Ga is bonded in a distorted single-bond geometry to three equivalent Ge and one H atom. All Ga–Ge bond lengths are 2.49 Å. The Ga–H bond length is 1.75 Å. Ge is bonded in a 6-coordinate geometry to three equivalent Ca and three equivalent Ga atoms. H is bonded to three equivalent Ca and one Ga atom to form corner-sharing HCa3Ga trigonal pyramids.

36 MATERIALS SCIENCE↗